2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine

C15H24ClNO — CID 112519815

IUPAC2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine
SMILESCCOc1ccc(C(C)(CN)CC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-5-18-14-7-6-12(8-13(14)16)15(4,10-17)9-11(2)3/h6-8,11H,5,9-10,17H2,1-4H3
InChIKeyCOUMHMXZOWOYKV-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.00
Rot. Bonds6

About 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine

2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine (PubChem CID 112519815) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine
PubChem CID112519815
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine
SMILESCCOc1ccc(C(C)(CN)CC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-5-18-14-7-6-12(8-13(14)16)15(4,10-17)9-11(2)3/h6-8,11H,5,9-10,17H2,1-4H3
InChIKeyCOUMHMXZOWOYKV-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-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

2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
CID 112519805
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
N'-(3-chloro-4-ethoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198257
2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
CID 81020856
1-(3-chloro-4-ethoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948719
1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
CID 82293995
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
N'-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202949
N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
CID 115191439
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine (CID 112519815) is 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine is CCOc1ccc(C(C)(CN)CC(C)C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine?
The InChIKey is COUMHMXZOWOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-18-14-7-6-12(8-13(14)16)15(4,10-17)9-11(2)3/h6-8,11H,5,9-10,17H2,1-4H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine?
2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 112519815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).