3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine

C15H15ClN2 — CID 123849493

IUPAC3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1)C(CN)c1ccccc1
InChIInChI=1S/C15H15ClN2/c16-13-8-6-12(7-9-13)15(18)14(10-17)11-4-2-1-3-5-11/h1-9,14,18H,10,17H2/b18-15+
InChIKeyXWGWBJOPBSHGFN-OBGWFSINSA-N
MW258.75 g/mol
LogP3.45
Rot. Bonds4

About 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine

3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine (PubChem CID 123849493) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine
PubChem CID123849493
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1)C(CN)c1ccccc1
InChIInChI=1S/C15H15ClN2/c16-13-8-6-12(7-9-13)15(18)14(10-17)11-4-2-1-3-5-11/h1-9,14,18H,10,17H2/b18-15+
InChIKeyXWGWBJOPBSHGFN-OBGWFSINSA-N
XLogP3.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-phenylbutan-1-imine
CID 143568831
2-(4-chlorobenzenecarboximidoyl)-3,3-dihydroxy-1-phenylpropane-1-thione
CID 90755808
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol
CID 143577606
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-[[3-(4-chlorophenyl)-3-imino-2-phenylpropyl]amino]-2-methoxypyrimidine-5-carboxamide
CID 162385524
[(R)-(4-chlorophenyl)-phenylmethyl] carbamimidothioate
CID 8830091
N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-[[3-(4-chlorophenyl)-3-imino-2-phenylpropyl]amino]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 162385509
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
3-methyl-2-phenylbut-3-en-1-amine
CID 67451506
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
1-(4-chlorophenyl)-3-nitro-2-phenylpropan-1-one
CID 101095215

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine (CID 123849493) is 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine is [H]/N=C(\c1ccc(Cl)cc1)C(CN)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine?
The InChIKey is XWGWBJOPBSHGFN-OBGWFSINSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-13-8-6-12(7-9-13)15(18)14(10-17)11-4-2-1-3-5-11/h1-9,14,18H,10,17H2/b18-15+.
What are the key properties of 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine?
3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine has a molecular weight of 258.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine is sourced from PubChem (CID 123849493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).