1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine

C16H25NO — CID 79834373

IUPAC1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1CC1(N)CCCCC1(C)C
InChIInChI=1S/C16H25NO/c1-15(2)10-6-7-11-16(15,17)12-13-8-4-5-9-14(13)18-3/h4-5,8-9H,6-7,10-12,17H2,1-3H3
InChIKeyQORWKHVRJBMZKX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine

1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79834373) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79834373
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1CC1(N)CCCCC1(C)C
InChIInChI=1S/C16H25NO/c1-15(2)10-6-7-11-16(15,17)12-13-8-4-5-9-14(13)18-3/h4-5,8-9H,6-7,10-12,17H2,1-3H3
InChIKeyQORWKHVRJBMZKX-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852943
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
2,2-dimethyl-1-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 79834580
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004
1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419799
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419418
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
1-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390367
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79834373) is 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine is COc1ccccc1CC1(N)CCCCC1(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is QORWKHVRJBMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)10-6-7-11-16(15,17)12-13-8-4-5-9-14(13)18-3/h4-5,8-9H,6-7,10-12,17H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79834373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).