1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine

C18H29NO — CID 65084029

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(C)cc1CC1(N)CCCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-14-6-7-16(20-4)15(12-14)13-18(19)9-5-8-17(2,3)10-11-18/h6-7,12H,5,8-11,13,19H2,1-4H3
InChIKeyHGMCSIHRHOJEIL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.23
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine

1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine (PubChem CID 65084029) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
PubChem CID65084029
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(C)cc1CC1(N)CCCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-14-6-7-16(20-4)15(12-14)13-18(19)9-5-8-17(2,3)10-11-18/h6-7,12H,5,8-11,13,19H2,1-4H3
InChIKeyHGMCSIHRHOJEIL-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085746
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
CID 65020246
1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62160328
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65196166
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine (CID 65084029) is 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine is COc1ccc(C)cc1CC1(N)CCCC(C)(C)CC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
The InChIKey is HGMCSIHRHOJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-6-7-16(20-4)15(12-14)13-18(19)9-5-8-17(2,3)10-11-18/h6-7,12H,5,8-11,13,19H2,1-4H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine?
1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65084029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).