3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine

C18H27NO — CID 114745561

IUPAC3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCC(C(N)c2cccc3c2OCCC3)CC1
InChIInChI=1S/C18H27NO/c1-18(2)10-8-13(9-11-18)16(19)15-7-3-5-14-6-4-12-20-17(14)15/h3,5,7,13,16H,4,6,8-12,19H2,1-2H3
InChIKeyBGCYMCYABLGQRB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.23
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine

3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine (PubChem CID 114745561) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
PubChem CID114745561
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCC(C(N)c2cccc3c2OCCC3)CC1
InChIInChI=1S/C18H27NO/c1-18(2)10-8-13(9-11-18)16(19)15-7-3-5-14-6-4-12-20-17(14)15/h3,5,7,13,16H,4,6,8-12,19H2,1-2H3
InChIKeyBGCYMCYABLGQRB-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105049243
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
CID 114745190
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanamine
CID 105049108
3,4-dihydro-2H-chromen-8-yl-(4-methylmorpholin-2-yl)methanamine
CID 114745734
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
[cyclohexyl(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 105201959
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine (CID 114745561) is 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine is CC1(C)CCC(C(N)c2cccc3c2OCCC3)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine?
The InChIKey is BGCYMCYABLGQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)10-8-13(9-11-18)16(19)15-7-3-5-14-6-4-12-20-17(14)15/h3,5,7,13,16H,4,6,8-12,19H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine?
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 114745561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).