2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine

C19H31NO — CID 60664263

IUPAC2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
SMILESCC(C)(C)c1ccc(OCCNCC2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-9-11-18(12-10-17)21-14-13-20-15-16-7-5-4-6-8-16/h9-12,16,20H,4-8,13-15H2,1-3H3
InChIKeyRWPWPBVIJKOVHM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine

2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine (PubChem CID 60664263) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
PubChem CID60664263
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
SMILESCC(C)(C)c1ccc(OCCNCC2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-9-11-18(12-10-17)21-14-13-20-15-16-7-5-4-6-8-16/h9-12,16,20H,4-8,13-15H2,1-3H3
InChIKeyRWPWPBVIJKOVHM-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)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

N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
N-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
4-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244391
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine (CID 60664263) is 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine is CC(C)(C)c1ccc(OCCNCC2CCCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is RWPWPBVIJKOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)17-9-11-18(12-10-17)21-14-13-20-15-16-7-5-4-6-8-16/h9-12,16,20H,4-8,13-15H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine?
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 60664263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).