1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine

C18H29NO2 — CID 81028647

IUPAC1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCOc1ccc(C2CCCCC2CNC)cc1OCC
InChIInChI=1S/C18H29NO2/c1-4-20-17-11-10-14(12-18(17)21-5-2)16-9-7-6-8-15(16)13-19-3/h10-12,15-16,19H,4-9,13H2,1-3H3
InChIKeyVSVGZCIMHCESBJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds7

About 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine

1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81028647) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81028647
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCOc1ccc(C2CCCCC2CNC)cc1OCC
InChIInChI=1S/C18H29NO2/c1-4-20-17-11-10-14(12-18(17)21-5-2)16-9-7-6-8-15(16)13-19-3/h10-12,15-16,19H,4-9,13H2,1-3H3
InChIKeyVSVGZCIMHCESBJ-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
CID 81011540
2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
CID 62802621
1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81028545
1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027973
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
CID 64908099
N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
CID 81028814
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
N-methyl-1-(2-quinolin-6-ylcyclopentyl)methanamine
CID 81222583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine (CID 81028647) is 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine is CCOc1ccc(C2CCCCC2CNC)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is VSVGZCIMHCESBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-20-17-11-10-14(12-18(17)21-5-2)16-9-7-6-8-15(16)13-19-3/h10-12,15-16,19H,4-9,13H2,1-3H3.
What are the key properties of 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine?
1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81028647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).