1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine

C110H127F2NO2 — CID 158153442

IUPAC1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine
SMILESCOc1cc(C)cc2ccccc12.Cc1cc(C2CCCCC2)c2c(F)cccc2c1.Cc1cc(C2CCCCC2)c2cc(C)c(C)cc2c1.Cc1cc(C2CCCCC2)c2cc(F)ccc2c1.Cc1cc(N(C)C)c2ccccc2c1.Cc1cc(OC(C)C)c2ccccc2c1.Cc1ccc2c(C3CCCCC3)cc(C)cc2c1
InChIInChI=1S/C19H24.C18H22.2C17H19F.C14H16O.C13H15N.C12H12O/c1-13-9-17-11-14(2)15(3)12-19(17)18(10-13)16-7-5-4-6-8-16;1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15;1-12-10-14-8-5-9-16(18)17(14)15(11-12)13-6-3-2-4-7-13;1-12-9-14-7-8-15(18)11-17(14)16(10-12)13-5-3-2-4-6-13;1-10(2)15-14-9-11(3)8-12-6-4-5-7-13(12)14;1-10-8-11-6-4-5-7-12(11)13(9-10)14(2)3;1-9-7-10-5-3-4-6-11(10)12(8-9)13-2/h9-12,16H,4-8H2,1-3H3;8-12,15H,3-7H2,1-2H3;5,8-11,13H,2-4,6-7H2,1H3;7-11,13H,2-6H2,1H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3
InChIKeyFVJZNJCMGCHSQD-UHFFFAOYSA-N
MW1533.23 g/mol
LogP32.29
Rot. Bonds8

About 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine

1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine (PubChem CID 158153442) has the molecular formula C110H127F2NO2 and a molecular weight of 1533.23 g/mol. Its IUPAC name is 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine
PubChem CID158153442
Molecular FormulaC110H127F2NO2
Molecular Weight1533.23 g/mol
Exact Mass1531.98
IUPAC Name1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine
SMILESCOc1cc(C)cc2ccccc12.Cc1cc(C2CCCCC2)c2c(F)cccc2c1.Cc1cc(C2CCCCC2)c2cc(C)c(C)cc2c1.Cc1cc(C2CCCCC2)c2cc(F)ccc2c1.Cc1cc(N(C)C)c2ccccc2c1.Cc1cc(OC(C)C)c2ccccc2c1.Cc1ccc2c(C3CCCCC3)cc(C)cc2c1
InChIInChI=1S/C19H24.C18H22.2C17H19F.C14H16O.C13H15N.C12H12O/c1-13-9-17-11-14(2)15(3)12-19(17)18(10-13)16-7-5-4-6-8-16;1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15;1-12-10-14-8-5-9-16(18)17(14)15(11-12)13-6-3-2-4-7-13;1-12-9-14-7-8-15(18)11-17(14)16(10-12)13-5-3-2-4-6-13;1-10(2)15-14-9-11(3)8-12-6-4-5-7-13(12)14;1-10-8-11-6-4-5-7-12(11)13(9-10)14(2)3;1-9-7-10-5-3-4-6-11(10)12(8-9)13-2/h9-12,16H,4-8H2,1-3H3;8-12,15H,3-7H2,1-2H3;5,8-11,13H,2-4,6-7H2,1H3;7-11,13H,2-6H2,1H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3
InChIKeyFVJZNJCMGCHSQD-UHFFFAOYSA-N
XLogP32.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001533.23
LogP ≤ 532.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine?
The IUPAC name of 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine (CID 158153442) is 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine.
What is the SMILES notation for 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine?
The canonical SMILES for 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine is COc1cc(C)cc2ccccc12.Cc1cc(C2CCCCC2)c2c(F)cccc2c1.Cc1cc(C2CCCCC2)c2cc(C)c(C)cc2c1.Cc1cc(C2CCCCC2)c2cc(F)ccc2c1.Cc1cc(N(C)C)c2ccccc2c1.Cc1cc(OC(C)C)c2ccccc2c1.Cc1ccc2c(C3CCCCC3)cc(C)cc2c1.
What is the InChIKey of 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine?
The InChIKey is FVJZNJCMGCHSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C18H22.2C17H19F.C14H16O.C13H15N.C12H12O/c1-13-9-17-11-14(2)15(3)12-19(17)18(10-13)16-7-5-4-6-8-16;1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15;1-12-10-14-8-5-9-16(18)17(14)15(11-12)13-6-3-2-4-7-13;1-12-9-14-7-8-15(18)11-17(14)16(10-12)13-5-3-2-4-6-13;1-10(2)15-14-9-11(3)8-12-6-4-5-7-13(12)14;1-10-8-11-6-4-5-7-12(11)13(9-10)14(2)3;1-9-7-10-5-3-4-6-11(10)12(8-9)13-2/h9-12,16H,4-8H2,1-3H3;8-12,15H,3-7H2,1-2H3;5,8-11,13H,2-4,6-7H2,1H3;7-11,13H,2-6H2,1H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3.
What are the key properties of 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine?
1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine has a molecular weight of 1533.23 g/mol, XLogP of 32.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,6-dimethylnaphthalene;1-cyclohexyl-7-fluoro-3-methylnaphthalene;1-cyclohexyl-8-fluoro-3-methylnaphthalene;1-cyclohexyl-3,6,7-trimethylnaphthalene;1-methoxy-3-methylnaphthalene;3-methyl-1-propan-2-yloxynaphthalene;N,N,3-trimethylnaphthalen-1-amine is sourced from PubChem (CID 158153442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).