(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine

C17H27NO2 — CID 64739837

IUPAC(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCC(C)C(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-11-5-6-13(9-12(11)2)17(18)14-7-8-15(19-3)16(10-14)20-4/h7-8,10-13,17H,5-6,9,18H2,1-4H3
InChIKeyJPLJKOQLDXQPRI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.78
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine

(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine (PubChem CID 64739837) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
PubChem CID64739837
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCC(C)C(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-11-5-6-13(9-12(11)2)17(18)14-7-8-15(19-3)16(10-14)20-4/h7-8,10-13,17H,5-6,9,18H2,1-4H3
InChIKeyJPLJKOQLDXQPRI-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739847
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64740034
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine (CID 64739837) is (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine is COc1ccc(C(N)C2CCC(C)C(C)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
The InChIKey is JPLJKOQLDXQPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-5-6-13(9-12(11)2)17(18)14-7-8-15(19-3)16(10-14)20-4/h7-8,10-13,17H,5-6,9,18H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 64739837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).