N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline

C32H35N — CID 166970912

IUPACN-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline
SMILESCCC(C)(c1ccccc1)c1ccc(C(C)(CC)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H35N/c1-5-31(3,26-16-10-7-11-17-26)27-22-24-28(25-23-27)32(4,6-2)33(29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25H,5-6H2,1-4H3
InChIKeyDBSRLNJXLJYGDY-UHFFFAOYSA-N
MW433.64 g/mol
LogP8.87
Rot. Bonds8

About N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline

N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline (PubChem CID 166970912) has the molecular formula C32H35N and a molecular weight of 433.64 g/mol. Its IUPAC name is N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline
PubChem CID166970912
Molecular FormulaC32H35N
Molecular Weight433.64 g/mol
Exact Mass433.28
IUPAC NameN-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline
SMILESCCC(C)(c1ccccc1)c1ccc(C(C)(CC)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H35N/c1-5-31(3,26-16-10-7-11-17-26)27-22-24-28(25-23-27)32(4,6-2)33(29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25H,5-6H2,1-4H3
InChIKeyDBSRLNJXLJYGDY-UHFFFAOYSA-N
XLogP8.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine
CID 130269208
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
N-(3-ethylpentan-3-yl)-N-phenylaniline
CID 143940844
1-N,1-N,1-N',1-N'-tetraphenyl-1-silylpropane-1,1-diamine
CID 173414497
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
N,4-ditert-butyl-N-phenylaniline
CID 91172141
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
4-tert-butyl-N,N-diphenylaniline
CID 11312667
12-ethyl-8,8-dimethyl-N,N-diphenyl-5-[2-(N-phenylanilino)butan-2-yl]tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaen-12-amine
CID 71027893

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline?
The IUPAC name of N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline (CID 166970912) is N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline.
What is the SMILES notation for N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline?
The canonical SMILES for N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline is CCC(C)(c1ccccc1)c1ccc(C(C)(CC)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline?
The InChIKey is DBSRLNJXLJYGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N/c1-5-31(3,26-16-10-7-11-17-26)27-22-24-28(25-23-27)32(4,6-2)33(29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25H,5-6H2,1-4H3.
What are the key properties of N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline?
N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline has a molecular weight of 433.64 g/mol, XLogP of 8.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline is sourced from PubChem (CID 166970912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).