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

C17H27NO — CID 103698599

IUPAC3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCCc2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-3-14-6-4-8-16(12-14)18-11-10-15-7-5-9-17(13-15)19-2/h5,7,9,13-14,16,18H,3-4,6,8,10-12H2,1-2H3
InChIKeyMBMHTJJGYAMTCH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds6

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

3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 103698599) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID103698599
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCCc2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-3-14-6-4-8-16(12-14)18-11-10-15-7-5-9-17(13-15)19-2/h5,7,9,13-14,16,18H,3-4,6,8,10-12H2,1-2H3
InChIKeyMBMHTJJGYAMTCH-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
N-[2-(3-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine
CID 103913830
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine
CID 64742220
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794
N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 103930663
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
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 103698599) is 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine is CCC1CCCC(NCCc2cccc(OC)c2)C1.
What is the InChIKey of 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is MBMHTJJGYAMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-6-4-8-16(12-14)18-11-10-15-7-5-9-17(13-15)19-2/h5,7,9,13-14,16,18H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine?
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103698599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).