1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine

C15H23NO — CID 43146596

IUPAC1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
SMILESCOc1cc(C2(N)CCCCCC2)ccc1C
InChIInChI=1S/C15H23NO/c1-12-7-8-13(11-14(12)17-2)15(16)9-5-3-4-6-10-15/h7-8,11H,3-6,9-10,16H2,1-2H3
InChIKeyOVQCEBXJKHNKAW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.51
Rot. Bonds2

About 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine

1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine (PubChem CID 43146596) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
PubChem CID43146596
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
SMILESCOc1cc(C2(N)CCCCCC2)ccc1C
InChIInChI=1S/C15H23NO/c1-12-7-8-13(11-14(12)17-2)15(16)9-5-3-4-6-10-15/h7-8,11H,3-6,9-10,16H2,1-2H3
InChIKeyOVQCEBXJKHNKAW-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine
CID 65006110
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
5-(1-aminocyclopentyl)-2-methoxybenzonitrile
CID 84784738
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine (CID 43146596) is 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine is COc1cc(C2(N)CCCCCC2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine?
The InChIKey is OVQCEBXJKHNKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-8-13(11-14(12)17-2)15(16)9-5-3-4-6-10-15/h7-8,11H,3-6,9-10,16H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine?
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 43146596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).