2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine

C16H25NO2 — CID 62801123

IUPAC2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-17-14-8-6-4-5-7-13(14)12-9-10-15(18-2)16(11-12)19-3/h9-11,13-14,17H,4-8H2,1-3H3
InChIKeyWOEOKXFRMDOUCS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.34
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine (PubChem CID 62801123) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
PubChem CID62801123
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-17-14-8-6-4-5-7-13(14)12-9-10-15(18-2)16(11-12)19-3/h9-11,13-14,17H,4-8H2,1-3H3
InChIKeyWOEOKXFRMDOUCS-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
ethyl 3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-3-oxopropanoate
CID 69492937
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
2-(5-fluoro-2-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82782828
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3,5-dinitrobenzamide
CID 87855420

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine (CID 62801123) is 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
The InChIKey is WOEOKXFRMDOUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-14-8-6-4-5-7-13(14)12-9-10-15(18-2)16(11-12)19-3/h9-11,13-14,17H,4-8H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine?
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62801123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).