N-benzhydryl-1-chloropropan-1-amine

C16H18ClN — CID 70410579

IUPACN-benzhydryl-1-chloropropan-1-amine
SMILESCCC(Cl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClN/c1-2-15(17)18-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3
InChIKeyMLRRRHRZXKIDSY-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.34
Rot. Bonds5

About N-benzhydryl-1-chloropropan-1-amine

N-benzhydryl-1-chloropropan-1-amine (PubChem CID 70410579) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-benzhydryl-1-chloropropan-1-amine.

Molecular Properties

Compound NameN-benzhydryl-1-chloropropan-1-amine
PubChem CID70410579
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-benzhydryl-1-chloropropan-1-amine
SMILESCCC(Cl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClN/c1-2-15(17)18-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3
InChIKeyMLRRRHRZXKIDSY-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-benzhydryl-1-chloropropan-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

1-(benzhydrylamino)-1-chloropropan-2-ol
CID 89396786
2-(benzhydrylamino)-3-ethylpentanenitrile
CID 25017938
(3R)-N-benzhydrylhex-5-en-3-amine
CID 135041353
[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid
CID 21325851
N-benzhydrylethanamine;ethane
CID 142974710
2-(benzhydrylamino)propan-1-ol
CID 43499566
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
(2S)-2-(1-chloropropylamino)-3-phenylpropanenitrile
CID 67860917
dichloromethane;1-phenylpropan-1-ol
CID 175142848
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
2-(benzhydrylamino)pentanoic acid
CID 65055273
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-chloropropan-1-amine?
The IUPAC name of N-benzhydryl-1-chloropropan-1-amine (CID 70410579) is N-benzhydryl-1-chloropropan-1-amine.
What is the SMILES notation for N-benzhydryl-1-chloropropan-1-amine?
The canonical SMILES for N-benzhydryl-1-chloropropan-1-amine is CCC(Cl)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-1-chloropropan-1-amine?
The InChIKey is MLRRRHRZXKIDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-2-15(17)18-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3.
What are the key properties of N-benzhydryl-1-chloropropan-1-amine?
N-benzhydryl-1-chloropropan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-chloropropan-1-amine is sourced from PubChem (CID 70410579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).