N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine

C16H17Cl2N — CID 63423947

IUPACN-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-10-19-11-12-6-8-13(9-7-12)14-4-3-5-15(17)16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyLIAXBKLCJFYBBZ-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.16
Rot. Bonds5

About N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine

N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine (PubChem CID 63423947) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
PubChem CID63423947
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-10-19-11-12-6-8-13(9-7-12)14-4-3-5-15(17)16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyLIAXBKLCJFYBBZ-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-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-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
N-[[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280692
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 82811010
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine
CID 173298108
N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine
CID 114079740
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine
CID 134812598
N-[[3-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]propan-1-amine
CID 63424827

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine (CID 63423947) is N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine?
The InChIKey is LIAXBKLCJFYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-10-19-11-12-6-8-13(9-7-12)14-4-3-5-15(17)16(14)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine?
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63423947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).