(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine

C17H27NO2 — CID 65414537

IUPAC(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(OC)cc2OC)C1
InChIInChI=1S/C17H27NO2/c1-4-12-6-5-7-13(10-12)17(18)15-9-8-14(19-2)11-16(15)20-3/h8-9,11-13,17H,4-7,10,18H2,1-3H3
InChIKeyCPPSGQAPGRAUGK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.92
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine

(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine (PubChem CID 65414537) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
PubChem CID65414537
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(OC)cc2OC)C1
InChIInChI=1S/C17H27NO2/c1-4-12-6-5-7-13(10-12)17(18)15-9-8-14(19-2)11-16(15)20-3/h8-9,11-13,17H,4-7,10,18H2,1-3H3
InChIKeyCPPSGQAPGRAUGK-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
[(2,4-dimethoxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231570

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine (CID 65414537) is (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine is CCC1CCCC(C(N)c2ccc(OC)cc2OC)C1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is CPPSGQAPGRAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-12-6-5-7-13(10-12)17(18)15-9-8-14(19-2)11-16(15)20-3/h8-9,11-13,17H,4-7,10,18H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 65414537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).