N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine

C22H20ClN — CID 177415024

IUPACN-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine
SMILESC=CC(NCc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN/c1-2-22(19-11-7-4-8-12-19,20-13-15-21(23)16-14-20)24-17-18-9-5-3-6-10-18/h2-16,24H,1,17H2
InChIKeyOHGZSYOZSHCVQA-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.56
Rot. Bonds6

About N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine

N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine (PubChem CID 177415024) has the molecular formula C22H20ClN and a molecular weight of 333.86 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine
PubChem CID177415024
Molecular FormulaC22H20ClN
Molecular Weight333.86 g/mol
Exact Mass333.13
IUPAC NameN-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine
SMILESC=CC(NCc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN/c1-2-22(19-11-7-4-8-12-19,20-13-15-21(23)16-14-20)24-17-18-9-5-3-6-10-18/h2-16,24H,1,17H2
InChIKeyOHGZSYOZSHCVQA-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fendiline
CID 3336
Norchlorcyclizine
CID 9340
Fendiline Hydrochloride
CID 5702162
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Clobenzorex
CID 735998
4-chloro-N-cyclopentylbenzylamine
CID 834083
Clocinizine
CID 5375618
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
3-Dechloro Sertraline Hydrochloride
CID 13408710
4-Chloro-N-pentylbenzenemethanamine
CID 2466110

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine (CID 177415024) is N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine is C=CC(NCc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine?
The InChIKey is OHGZSYOZSHCVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN/c1-2-22(19-11-7-4-8-12-19,20-13-15-21(23)16-14-20)24-17-18-9-5-3-6-10-18/h2-16,24H,1,17H2.
What are the key properties of N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine?
N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine has a molecular weight of 333.86 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)-1-phenylprop-2-en-1-amine is sourced from PubChem (CID 177415024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).