3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine

C15H19NO — CID 70408747

IUPAC3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CC(C)(N)C(c2ccccc2C)C=C1
InChIInChI=1S/C15H19NO/c1-11-6-4-5-7-13(11)14-9-8-12(17-3)10-15(14,2)16/h4-10,14H,16H2,1-3H3
InChIKeyFGROFSYDMFRCQO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.90
Rot. Bonds2

About 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine

3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine (PubChem CID 70408747) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine
PubChem CID70408747
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CC(C)(N)C(c2ccccc2C)C=C1
InChIInChI=1S/C15H19NO/c1-11-6-4-5-7-13(11)14-9-8-12(17-3)10-15(14,2)16/h4-10,14H,16H2,1-3H3
InChIKeyFGROFSYDMFRCQO-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716
methyl N-[(4R,5R)-2,2-dimethyl-5-(2-methylphenyl)-1,3-dioxolan-4-yl]sulfamate
CID 175002697
1-cyclopropyl-2-(2-methylphenyl)cyclopropan-1-amine
CID 84661105
9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 67374079
5,5-difluoro-2-(2-methylphenyl)-2H-furan
CID 177420657
(2R,3R,5S,6S)-4,4-dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine
CID 7407644
3-methoxy-9,9a-dihydro-4aH-carbazole
CID 58078019
5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 67931396
1-(4,5-dimethoxy-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,5-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15362649
2-methoxy-6,6-bis(methylsulfonyl)-5-nitrocyclohexa-1,3-diene
CID 88507934
methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 159199814
6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride
CID 70700010

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine (CID 70408747) is 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine is COC1=CC(C)(N)C(c2ccccc2C)C=C1.
What is the InChIKey of 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is FGROFSYDMFRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-6-4-5-7-13(11)14-9-8-12(17-3)10-15(14,2)16/h4-10,14H,16H2,1-3H3.
What are the key properties of 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine?
3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70408747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).