N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine

C14H22ClN — CID 106659183

IUPACN-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
SMILESCCCCc1cc(Cl)ccc1CNC(C)C
InChIInChI=1S/C14H22ClN/c1-4-5-6-12-9-14(15)8-7-13(12)10-16-11(2)3/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyHIFFZLKWWKPPDS-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.18
Rot. Bonds6

About N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine

N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine (PubChem CID 106659183) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
PubChem CID106659183
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
SMILESCCCCc1cc(Cl)ccc1CNC(C)C
InChIInChI=1S/C14H22ClN/c1-4-5-6-12-9-14(15)8-7-13(12)10-16-11(2)3/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyHIFFZLKWWKPPDS-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine (CID 106659183) is N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine is CCCCc1cc(Cl)ccc1CNC(C)C.
What is the InChIKey of N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine?
The InChIKey is HIFFZLKWWKPPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-5-6-12-9-14(15)8-7-13(12)10-16-11(2)3/h7-9,11,16H,4-6,10H2,1-3H3.
What are the key properties of N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine?
N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 106659183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).