1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine

C16H25NO — CID 103432757

IUPAC1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
SMILESCOc1c(C2(N)CCCCCC2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-12-8-9-14(15(18-3)13(12)2)16(17)10-6-4-5-7-11-16/h8-9H,4-7,10-11,17H2,1-3H3
InChIKeyYJLFKQIKGYHVRM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.82
Rot. Bonds2

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

1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine (PubChem CID 103432757) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
PubChem CID103432757
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
SMILESCOc1c(C2(N)CCCCCC2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-12-8-9-14(15(18-3)13(12)2)16(17)10-6-4-5-7-11-16/h8-9H,4-7,10-11,17H2,1-3H3
InChIKeyYJLFKQIKGYHVRM-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 103432752
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
CID 103432732
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine (CID 103432757) is 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine is COc1c(C2(N)CCCCCC2)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine?
The InChIKey is YJLFKQIKGYHVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-9-14(15(18-3)13(12)2)16(17)10-6-4-5-7-11-16/h8-9H,4-7,10-11,17H2,1-3H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 103432757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).