[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine

C17H27NO — CID 65394529

IUPAC[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccccc2OC)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-17(13-18,11-9-14)12-15-6-4-5-7-16(15)19-2/h4-7,14H,3,8-13,18H2,1-2H3
InChIKeyUTUCJSZCRCFQOA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.78
Rot. Bonds5

About [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine

[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine (PubChem CID 65394529) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
PubChem CID65394529
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccccc2OC)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-17(13-18,11-9-14)12-15-6-4-5-7-16(15)19-2/h4-7,14H,3,8-13,18H2,1-2H3
InChIKeyUTUCJSZCRCFQOA-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393215
[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395564
[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423317
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 114934762
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053
[4-ethyl-1-[(2-fluoro-3-nitrophenyl)methyl]cyclohexyl]methanamine
CID 107353703
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine (CID 65394529) is [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine is CCC1CCC(CN)(Cc2ccccc2OC)CC1.
What is the InChIKey of [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine?
The InChIKey is UTUCJSZCRCFQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-10-17(13-18,11-9-14)12-15-6-4-5-7-16(15)19-2/h4-7,14H,3,8-13,18H2,1-2H3.
What are the key properties of [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine?
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 65394529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).