4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine

C15H24ClNO — CID 113319723

IUPAC4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-12-10-14(15(16)11-13(12)2)6-4-5-7-17-8-9-18-3/h10-11,17H,4-9H2,1-3H3
InChIKeyIXJWNLOXIYRHLN-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.52
Rot. Bonds8

About 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine

4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 113319723) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID113319723
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-12-10-14(15(16)11-13(12)2)6-4-5-7-17-8-9-18-3/h10-11,17H,4-9H2,1-3H3
InChIKeyIXJWNLOXIYRHLN-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-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-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65305744
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
N-[2-[2-(2-chloro-4,5-dimethoxyphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303519
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271
4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
CID 65305689
4-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62584314
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine (CID 113319723) is 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCc1cc(C)c(C)cc1Cl.
What is the InChIKey of 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is IXJWNLOXIYRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12-10-14(15(16)11-13(12)2)6-4-5-7-17-8-9-18-3/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine?
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 113319723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).