6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

C17H25NO — CID 114709586

IUPAC6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(C1CCCC(C)C1)O2
InChIInChI=1S/C17H25NO/c1-11-4-3-5-13(8-11)17-10-15(18)14-9-12(2)6-7-16(14)19-17/h6-7,9,11,13,15,17H,3-5,8,10,18H2,1-2H3
InChIKeyRMIRKWKSDHMCDA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.97
Rot. Bonds1

About 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709586) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709586
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(C1CCCC(C)C1)O2
InChIInChI=1S/C17H25NO/c1-11-4-3-5-13(8-11)17-10-15(18)14-9-12(2)6-7-16(14)19-17/h6-7,9,11,13,15,17H,3-5,8,10,18H2,1-2H3
InChIKeyRMIRKWKSDHMCDA-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947810
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107134004
6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709605
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103278037
6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 114710103
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946373
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (CID 114709586) is 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)C(N)CC(C1CCCC(C)C1)O2.
What is the InChIKey of 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RMIRKWKSDHMCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-4-3-5-13(8-11)17-10-15(18)14-9-12(2)6-7-16(14)19-17/h6-7,9,11,13,15,17H,3-5,8,10,18H2,1-2H3.
What are the key properties of 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).