N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline

C32H33ClN2 — CID 11826948

IUPACN-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline
SMILESCCCCC(Cc1ccc(N=C(c2ccccc2)c2ccccc2)cc1Cl)Nc1ccc(C)cc1
InChIInChI=1S/C32H33ClN2/c1-3-4-15-29(34-28-19-16-24(2)17-20-28)22-27-18-21-30(23-31(27)33)35-32(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,16-21,23,29,34H,3-4,15,22H2,1-2H3
InChIKeyVBZZCZGILOXIBT-UHFFFAOYSA-N
MW481.08 g/mol
LogP9.03
Rot. Bonds10

About N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline

N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline (PubChem CID 11826948) has the molecular formula C32H33ClN2 and a molecular weight of 481.08 g/mol. Its IUPAC name is N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline
PubChem CID11826948
Molecular FormulaC32H33ClN2
Molecular Weight481.08 g/mol
Exact Mass480.23
IUPAC NameN-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline
SMILESCCCCC(Cc1ccc(N=C(c2ccccc2)c2ccccc2)cc1Cl)Nc1ccc(C)cc1
InChIInChI=1S/C32H33ClN2/c1-3-4-15-29(34-28-19-16-24(2)17-20-28)22-27-18-21-30(23-31(27)33)35-32(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,16-21,23,29,34H,3-4,15,22H2,1-2H3
InChIKeyVBZZCZGILOXIBT-UHFFFAOYSA-N
XLogP9.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.08
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline
CID 10989831
N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
CID 134880054
4-methyl-N-octan-4-ylaniline
CID 12779858
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
N-octan-4-ylaniline
CID 12779854
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
N-tridecan-6-ylaniline
CID 151143089
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 106867430

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline?
The IUPAC name of N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline (CID 11826948) is N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline.
What is the SMILES notation for N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline?
The canonical SMILES for N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline is CCCCC(Cc1ccc(N=C(c2ccccc2)c2ccccc2)cc1Cl)Nc1ccc(C)cc1.
What is the InChIKey of N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline?
The InChIKey is VBZZCZGILOXIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN2/c1-3-4-15-29(34-28-19-16-24(2)17-20-28)22-27-18-21-30(23-31(27)33)35-32(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,16-21,23,29,34H,3-4,15,22H2,1-2H3.
What are the key properties of N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline?
N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline has a molecular weight of 481.08 g/mol, XLogP of 9.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(benzhydrylideneamino)-2-chlorophenyl]hexan-2-yl]-4-methylaniline is sourced from PubChem (CID 11826948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).