2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine

C17H27NO — CID 103434249

IUPAC2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H27NO/c1-12-10-11-15(17(19-4)13(12)2)14-8-6-5-7-9-16(14)18-3/h10-11,14,16,18H,5-9H2,1-4H3
InChIKeyARCLKVCGZZVWCX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine

2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine (PubChem CID 103434249) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine
PubChem CID103434249
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H27NO/c1-12-10-11-15(17(19-4)13(12)2)14-8-6-5-7-9-16(14)18-3/h10-11,14,16,18H,5-9H2,1-4H3
InChIKeyARCLKVCGZZVWCX-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
CID 103523805
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809
N-[[2-(2-methoxy-3,4-dimethylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 103434698
2-isoquinolin-8-yl-N-methylcycloheptan-1-amine
CID 103139261
2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82811854
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
CID 63474157
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine (CID 103434249) is 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1c1ccc(C)c(C)c1OC.
What is the InChIKey of 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine?
The InChIKey is ARCLKVCGZZVWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-10-11-15(17(19-4)13(12)2)14-8-6-5-7-9-16(14)18-3/h10-11,14,16,18H,5-9H2,1-4H3.
What are the key properties of 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine?
2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 103434249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).