[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine

C17H27NO2 — CID 117444901

IUPAC[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCCc1c(OC)ccc(C2(CN)CCCCC2)c1OC
InChIInChI=1S/C17H27NO2/c1-4-13-15(19-2)9-8-14(16(13)20-3)17(12-18)10-6-5-7-11-17/h8-9H,4-7,10-12,18H2,1-3H3
InChIKeyQLDWUIZAKYTEAH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds5

About [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine

[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine (PubChem CID 117444901) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
PubChem CID117444901
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCCc1c(OC)ccc(C2(CN)CCCCC2)c1OC
InChIInChI=1S/C17H27NO2/c1-4-13-15(19-2)9-8-14(16(13)20-3)17(12-18)10-6-5-7-11-17/h8-9H,4-7,10-12,18H2,1-3H3
InChIKeyQLDWUIZAKYTEAH-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377084
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine (CID 117444901) is [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine is CCc1c(OC)ccc(C2(CN)CCCCC2)c1OC.
What is the InChIKey of [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine?
The InChIKey is QLDWUIZAKYTEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-13-15(19-2)9-8-14(16(13)20-3)17(12-18)10-6-5-7-11-17/h8-9H,4-7,10-12,18H2,1-3H3.
What are the key properties of [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine?
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117444901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).