N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine

C16H25NO — CID 103698595

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
SMILESCOc1cccc(CCNC2CCC(C)CC2)c1
InChIInChI=1S/C16H25NO/c1-13-6-8-15(9-7-13)17-11-10-14-4-3-5-16(12-14)18-2/h3-5,12-13,15,17H,6-11H2,1-2H3
InChIKeyVWALNJZRFDBGLI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine

N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 103698595) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID103698595
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
SMILESCOc1cccc(CCNC2CCC(C)CC2)c1
InChIInChI=1S/C16H25NO/c1-13-6-8-15(9-7-13)17-11-10-14-4-3-5-16(12-14)18-2/h3-5,12-13,15,17H,6-11H2,1-2H3
InChIKeyVWALNJZRFDBGLI-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023036
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
N-[2-(3-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine
CID 103913830

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine (CID 103698595) is N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine is COc1cccc(CCNC2CCC(C)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is VWALNJZRFDBGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-8-15(9-7-13)17-11-10-14-4-3-5-16(12-14)18-2/h3-5,12-13,15,17H,6-11H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 103698595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).