N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline

C28H26N2 — CID 86640682

IUPACN-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(N(CCc2ccccc2)N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2/c1-23-17-19-27(20-18-23)30(22-21-24-11-5-2-6-12-24)29-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21-22H2,1H3
InChIKeyWGFNNBORGOSZHE-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.50
Rot. Bonds7

About N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline

N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline (PubChem CID 86640682) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline
PubChem CID86640682
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC NameN-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(N(CCc2ccccc2)N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2/c1-23-17-19-27(20-18-23)30(22-21-24-11-5-2-6-12-24)29-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21-22H2,1H3
InChIKeyWGFNNBORGOSZHE-UHFFFAOYSA-N
XLogP6.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(benzhydrylideneamino)-4-methyl-N-(2-phenylpropyl)aniline
CID 90698141
N-(4-methylphenyl)-N-(2-phenylethyl)hydroxylamine
CID 57021705
N-fluoro-4-methyl-N-(2-phenylethyl)aniline
CID 57039494
N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
CID 54056068
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
N-benzyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]aniline
CID 6050760
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
1-benzyl-4-methylbenzene;toluene
CID 144690555
N,N-diamino-2-phenylethanamine
CID 18409381
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
CID 170780708
N-[(benzhydrylideneamino)-methylamino]-N-(1-phenylethylideneamino)methanamine
CID 91258409

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline (CID 86640682) is N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline is Cc1ccc(N(CCc2ccccc2)N=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline?
The InChIKey is WGFNNBORGOSZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-23-17-19-27(20-18-23)30(22-21-24-11-5-2-6-12-24)29-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21-22H2,1H3.
What are the key properties of N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline?
N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline has a molecular weight of 390.53 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 86640682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).