1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

C17H26FN — CID 104989351

IUPAC1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1F)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26FN/c1-11-8-9-14(10-13(11)3)17(19-4)15-7-5-6-12(2)16(15)18/h5-7,11,13-14,17,19H,8-10H2,1-4H3
InChIKeyBTCDLRDQPCDTKF-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.47
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 104989351) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID104989351
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1F)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26FN/c1-11-8-9-14(10-13(11)3)17(19-4)15-7-5-6-12(2)16(15)18/h5-7,11,13-14,17,19H,8-10H2,1-4H3
InChIKeyBTCDLRDQPCDTKF-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 64738647
1-(2-bromo-3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 107539161
1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 105154541
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 64740235
[(2-fluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313617
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312464
N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989303
4-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 116952308
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105094933

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (CID 104989351) is 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1cccc(C)c1F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is BTCDLRDQPCDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-11-8-9-14(10-13(11)3)17(19-4)15-7-5-6-12(2)16(15)18/h5-7,11,13-14,17,19H,8-10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 104989351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).