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

C17H27NO — CID 103698593

IUPACN-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
SMILESCOc1cccc(CCNC2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-17(2)10-7-15(8-11-17)18-12-9-14-5-4-6-16(13-14)19-3/h4-6,13,15,18H,7-12H2,1-3H3
InChIKeyPCEFSCKWSQKPEE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds5

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

N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 103698593) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID103698593
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
SMILESCOc1cccc(CCNC2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-17(2)10-7-15(8-11-17)18-12-9-14-5-4-6-16(13-14)19-3/h4-6,13,15,18H,7-12H2,1-3H3
InChIKeyPCEFSCKWSQKPEE-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
N-[2-(3-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine
CID 103913830
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine (CID 103698593) is N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine is COc1cccc(CCNC2CCC(C)(C)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is PCEFSCKWSQKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2)10-7-15(8-11-17)18-12-9-14-5-4-6-16(13-14)19-3/h4-6,13,15,18H,7-12H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine?
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 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]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103698593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).