1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine

C19H31NO — CID 63528924

IUPAC1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-9-7-15(8-10-16)18(20)13-14-5-11-17(21-4)12-6-14/h5-6,11-12,15-16,18H,7-10,13,20H2,1-4H3
InChIKeyJRSDHHTYVSTYSY-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine

1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 63528924) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID63528924
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-9-7-15(8-10-16)18(20)13-14-5-11-17(21-4)12-6-14/h5-6,11-12,15-16,18H,7-10,13,20H2,1-4H3
InChIKeyJRSDHHTYVSTYSY-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
CID 63520591
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
CID 112507866
1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine (CID 63528924) is 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is JRSDHHTYVSTYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)16-9-7-15(8-10-16)18(20)13-14-5-11-17(21-4)12-6-14/h5-6,11-12,15-16,18H,7-10,13,20H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine?
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 63528924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).