N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline

C33H27ClN2 — CID 27153311

IUPACN-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline
SMILESClc1ccc([C@H](Nc2ccccc2)[C@@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H27ClN2/c34-29-23-21-28(22-24-29)32(35-30-19-11-4-12-20-30)33(27-17-9-3-10-18-27)36-31(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-24,32-33,35H/t32-,33-/m0/s1
InChIKeyDWXJOKZTKCSZDM-LQJZCPKCSA-N
MW487.05 g/mol
LogP8.77
Rot. Bonds8

About N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline

N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline (PubChem CID 27153311) has the molecular formula C33H27ClN2 and a molecular weight of 487.05 g/mol. Its IUPAC name is N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline.

Molecular Properties

Compound NameN-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline
PubChem CID27153311
Molecular FormulaC33H27ClN2
Molecular Weight487.05 g/mol
Exact Mass486.19
IUPAC NameN-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline
SMILESClc1ccc([C@H](Nc2ccccc2)[C@@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H27ClN2/c34-29-23-21-28(22-24-29)32(35-30-19-11-4-12-20-30)33(27-17-9-3-10-18-27)36-31(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-24,32-33,35H/t32-,33-/m0/s1
InChIKeyDWXJOKZTKCSZDM-LQJZCPKCSA-N
XLogP8.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-2-(benzhydrylideneamino)-3-(4-chloroanilino)-3-phenylpropanoate
CID 27001668
(2R,3R)-3-anilino-2-(benzhydrylideneamino)-3-(4-methylphenyl)propanenitrile
CID 40549544
3-amino-4-anilino-4-(4-chlorophenyl)butan-2-one;hydrochloride
CID 70257960
(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one
CID 73442196
dimethyl 2-[(R)-(4-chloroanilino)-phenylmethyl]propanedioate
CID 804005
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 139042258
tert-butyl (2R,3S)-3-anilino-3-(4-chlorophenyl)-2-methylpropanoate
CID 101435643
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one
CID 122213921
(3R,4R)-4-anilino-1-tert-butylsulfinyl-4-(4-chlorophenyl)-3-methylbutan-2-one
CID 102167728
(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline?
The IUPAC name of N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline (CID 27153311) is N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline.
What is the SMILES notation for N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline?
The canonical SMILES for N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline is Clc1ccc([C@H](Nc2ccccc2)[C@@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline?
The InChIKey is DWXJOKZTKCSZDM-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H27ClN2/c34-29-23-21-28(22-24-29)32(35-30-19-11-4-12-20-30)33(27-17-9-3-10-18-27)36-31(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-24,32-33,35H/t32-,33-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline?
N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline has a molecular weight of 487.05 g/mol, XLogP of 8.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(benzhydrylideneamino)-1-(4-chlorophenyl)-2-phenylethyl]aniline is sourced from PubChem (CID 27153311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).