N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline

C28H26N2 — CID 145188944

IUPACN-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline
SMILES[H]/N=C(/CC(Nc1ccccc1)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H26N2/c1-21-12-14-25(15-13-21)28(30-26-10-6-3-7-11-26)20-27(29)24-18-16-23(17-19-24)22-8-4-2-5-9-22/h2-19,28-30H,20H2,1H3/b29-27-
InChIKeyHBOUAZOPPUMIMF-OHYPFYFLSA-N
MW390.53 g/mol
LogP7.27
Rot. Bonds7

About N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline

N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline (PubChem CID 145188944) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline.

Molecular Properties

Compound NameN-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline
PubChem CID145188944
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC NameN-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline
SMILES[H]/N=C(/CC(Nc1ccccc1)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H26N2/c1-21-12-14-25(15-13-21)28(30-26-10-6-3-7-11-26)20-27(29)24-18-16-23(17-19-24)22-8-4-2-5-9-22/h2-19,28-30H,20H2,1H3/b29-27-
InChIKeyHBOUAZOPPUMIMF-OHYPFYFLSA-N
XLogP7.27
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.27
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

methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
N-[1-(4-methylphenyl)but-3-ynyl]aniline
CID 132561517
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541

Frequently Asked Questions

What is the IUPAC name of N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline?
The IUPAC name of N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline (CID 145188944) is N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline.
What is the SMILES notation for N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline?
The canonical SMILES for N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline is [H]/N=C(/CC(Nc1ccccc1)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline?
The InChIKey is HBOUAZOPPUMIMF-OHYPFYFLSA-N. The full InChI is InChI=1S/C28H26N2/c1-21-12-14-25(15-13-21)28(30-26-10-6-3-7-11-26)20-27(29)24-18-16-23(17-19-24)22-8-4-2-5-9-22/h2-19,28-30H,20H2,1H3/b29-27-.
What are the key properties of N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline?
N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline has a molecular weight of 390.53 g/mol, XLogP of 7.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-imino-1-(4-methylphenyl)-3-(4-phenylphenyl)propyl]aniline is sourced from PubChem (CID 145188944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).