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

C17H27NO2 — CID 104989441

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

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

(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine (PubChem CID 104989441) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
PubChem CID104989441
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCC(C)C(C)C2)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-11-5-6-13(9-12(11)2)17(18)15-8-7-14(19-3)10-16(15)20-4/h7-8,10-13,17H,5-6,9,18H2,1-4H3
InChIKeyBTSAUJCNWLQVOU-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

(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
[(2,4-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210736
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol
CID 115806067

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine (CID 104989441) is (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine is COc1ccc(C(N)C2CCC(C)C(C)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
The InChIKey is BTSAUJCNWLQVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-5-6-13(9-12(11)2)17(18)15-8-7-14(19-3)10-16(15)20-4/h7-8,10-13,17H,5-6,9,18H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine?
(2,4-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 (2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 104989441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).