(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C18H29NO — CID 103433606

IUPAC(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCCC1CCC(C(N)c2ccc(C)c(C)c2OC)CC1
InChIInChI=1S/C18H29NO/c1-5-14-7-9-15(10-8-14)17(19)16-11-6-12(2)13(3)18(16)20-4/h6,11,14-15,17H,5,7-10,19H2,1-4H3
InChIKeyHMZVCAZUFKKIJH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds4

About (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433606) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433606
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCCC1CCC(C(N)c2ccc(C)c(C)c2OC)CC1
InChIInChI=1S/C18H29NO/c1-5-14-7-9-15(10-8-14)17(19)16-11-6-12(2)13(3)18(16)20-4/h6,11,14-15,17H,5,7-10,19H2,1-4H3
InChIKeyHMZVCAZUFKKIJH-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-ethylcyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435992
(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 103435508
2,3-dihydro-1H-inden-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433624
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 103435403
(4-ethylcyclohexyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065687
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433840
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433606) is (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is CCC1CCC(C(N)c2ccc(C)c(C)c2OC)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is HMZVCAZUFKKIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-14-7-9-15(10-8-14)17(19)16-11-6-12(2)13(3)18(16)20-4/h6,11,14-15,17H,5,7-10,19H2,1-4H3.
What are the key properties of (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).