1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine

C16H25NO — CID 55042036

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
SMILESCOc1ccc(C)cc1CC1(N)CCCCCC1
InChIInChI=1S/C16H25NO/c1-13-7-8-15(18-2)14(11-13)12-16(17)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10,12,17H2,1-2H3
InChIKeyFHECGVRCTRPGDC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine

1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine (PubChem CID 55042036) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
PubChem CID55042036
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
SMILESCOc1ccc(C)cc1CC1(N)CCCCCC1
InChIInChI=1S/C16H25NO/c1-13-7-8-15(18-2)14(11-13)12-16(17)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10,12,17H2,1-2H3
InChIKeyFHECGVRCTRPGDC-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65084029
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
CID 65020246
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 83823068
1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62160328
3-[(2-methoxy-5-methylphenyl)methyl]-2-methylthian-3-ol
CID 79951679
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine (CID 55042036) is 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine is COc1ccc(C)cc1CC1(N)CCCCCC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
The InChIKey is FHECGVRCTRPGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-7-8-15(18-2)14(11-13)12-16(17)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10,12,17H2,1-2H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.60, 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]cycloheptan-1-amine is sourced from PubChem (CID 55042036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).