N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline

C30H32N2 — CID 157120065

IUPACN-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
SMILESCC(Cc1ccc(Nc2ccccc2)cc1)C(C)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C30H32N2/c1-23(21-26-13-19-30(20-14-26)32-28-11-7-4-8-12-28)24(2)31-29-17-15-27(16-18-29)22-25-9-5-3-6-10-25/h3-20,23-24,31-32H,21-22H2,1-2H3
InChIKeyWRKIILHKKPBWES-UHFFFAOYSA-N
MW420.60 g/mol
LogP7.70
Rot. Bonds9

About N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline

N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline (PubChem CID 157120065) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline.

Molecular Properties

Compound NameN-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
PubChem CID157120065
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC NameN-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
SMILESCC(Cc1ccc(Nc2ccccc2)cc1)C(C)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C30H32N2/c1-23(21-26-13-19-30(20-14-26)32-28-11-7-4-8-12-28)24(2)31-29-17-15-27(16-18-29)22-25-9-5-3-6-10-25/h3-20,23-24,31-32H,21-22H2,1-2H3
InChIKeyWRKIILHKKPBWES-UHFFFAOYSA-N
XLogP7.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
4-benzyl-N-propan-2-ylaniline
CID 22888879
4-(2,4-dimethylpentyl)-N-phenylaniline
CID 71054537
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline
CID 58933204
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
1-(4-benzylanilino)propan-1-ol
CID 141374404
N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
CID 86314144
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032
N,2,3-trimethyl-4-phenylbutan-1-amine
CID 81016315
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
CID 91580530

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline?
The IUPAC name of N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline (CID 157120065) is N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline.
What is the SMILES notation for N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline?
The canonical SMILES for N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline is CC(Cc1ccc(Nc2ccccc2)cc1)C(C)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline?
The InChIKey is WRKIILHKKPBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-23(21-26-13-19-30(20-14-26)32-28-11-7-4-8-12-28)24(2)31-29-17-15-27(16-18-29)22-25-9-5-3-6-10-25/h3-20,23-24,31-32H,21-22H2,1-2H3.
What are the key properties of N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline?
N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline has a molecular weight of 420.60 g/mol, XLogP of 7.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline is sourced from PubChem (CID 157120065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).