4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine

C17H20ClNO — CID 82138850

IUPAC4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine
SMILESCc1cc(OCCC(CN)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13-11-16(7-8-17(13)18)20-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12,19H2,1H3
InChIKeyZLAJJFVMLUQOQG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.16
Rot. Bonds6

About 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine

4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine (PubChem CID 82138850) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine
PubChem CID82138850
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine
SMILESCc1cc(OCCC(CN)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13-11-16(7-8-17(13)18)20-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12,19H2,1H3
InChIKeyZLAJJFVMLUQOQG-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine 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

4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
CID 82138041
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148
(3S)-1-amino-6-(4-chloro-3-methylphenoxy)hexan-3-ol;hydrochloride
CID 68628163
2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
CID 82138221
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
4-butoxy-2-phenylbutan-1-amine
CID 65429103
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 51492437
2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 82137983

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine (CID 82138850) is 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine is Cc1cc(OCCC(CN)c2ccccc2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine?
The InChIKey is ZLAJJFVMLUQOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-11-16(7-8-17(13)18)20-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12,19H2,1H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine?
4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine is sourced from PubChem (CID 82138850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).