4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H23Cl2N — CID 81018871

IUPAC4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-11(2)10-18-7-6-12(3)8-13-4-5-14(16)15(17)9-13/h4-5,9,11-12,18H,6-8,10H2,1-3H3
InChIKeyZAYKXQSVFHKPQV-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.81
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81018871) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81018871
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-11(2)10-18-7-6-12(3)8-13-4-5-14(16)15(17)9-13/h4-5,9,11-12,18H,6-8,10H2,1-3H3
InChIKeyZAYKXQSVFHKPQV-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)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

N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665023
N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591895
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104813797
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
1-N-[2-(3,4-dichlorophenyl)ethyl]propane-1,2-diamine
CID 115196851
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450
N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
CID 171093295
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 81018871) is 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZAYKXQSVFHKPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-11(2)10-18-7-6-12(3)8-13-4-5-14(16)15(17)9-13/h4-5,9,11-12,18H,6-8,10H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81018871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).