3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline

C30H31N — CID 145354364

IUPAC3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline
SMILESCCCCc1ccccc1-c1cc(N(C)c2ccc(-c3ccccc3)cc2)ccc1C
InChIInChI=1S/C30H31N/c1-4-5-11-26-14-9-10-15-29(26)30-22-28(19-16-23(30)2)31(3)27-20-17-25(18-21-27)24-12-7-6-8-13-24/h6-10,12-22H,4-5,11H2,1-3H3
InChIKeyOGMFAAUHSPALMD-UHFFFAOYSA-N
MW405.59 g/mol
LogP8.44
Rot. Bonds7

About 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline

3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline (PubChem CID 145354364) has the molecular formula C30H31N and a molecular weight of 405.59 g/mol. Its IUPAC name is 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline
PubChem CID145354364
Molecular FormulaC30H31N
Molecular Weight405.59 g/mol
Exact Mass405.25
IUPAC Name3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline
SMILESCCCCc1ccccc1-c1cc(N(C)c2ccc(-c3ccccc3)cc2)ccc1C
InChIInChI=1S/C30H31N/c1-4-5-11-26-14-9-10-15-29(26)30-22-28(19-16-23(30)2)31(3)27-20-17-25(18-21-27)24-12-7-6-8-13-24/h6-10,12-22H,4-5,11H2,1-3H3
InChIKeyOGMFAAUHSPALMD-UHFFFAOYSA-N
XLogP8.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline
CID 144815999
4-(2-butylphenyl)-2,5-dimethylaniline
CID 69135877
9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145354424
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
gold;1-pentyl-2-phenylbenzene
CID 174945702
3-[4-butyl-3-(2-methylphenyl)phenyl]phenol;toluene
CID 145003853
3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 163613245

Frequently Asked Questions

What is the IUPAC name of 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline (CID 145354364) is 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline is CCCCc1ccccc1-c1cc(N(C)c2ccc(-c3ccccc3)cc2)ccc1C.
What is the InChIKey of 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline?
The InChIKey is OGMFAAUHSPALMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N/c1-4-5-11-26-14-9-10-15-29(26)30-22-28(19-16-23(30)2)31(3)27-20-17-25(18-21-27)24-12-7-6-8-13-24/h6-10,12-22H,4-5,11H2,1-3H3.
What are the key properties of 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline?
3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline has a molecular weight of 405.59 g/mol, XLogP of 8.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145354364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).