4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline

C33H37N — CID 58789445

IUPAC4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
SMILESCCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H37N/c1-4-6-8-27-12-20-31(21-13-27)34(32-22-14-28(15-23-32)9-7-5-2)33-24-18-30(19-25-33)29-16-10-26(3)11-17-29/h10-25H,4-9H2,1-3H3
InChIKeyYUSDXFXWJPXTIS-UHFFFAOYSA-N
MW447.67 g/mol
LogP9.82
Rot. Bonds10

About 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline

4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline (PubChem CID 58789445) has the molecular formula C33H37N and a molecular weight of 447.67 g/mol. Its IUPAC name is 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
PubChem CID58789445
Molecular FormulaC33H37N
Molecular Weight447.67 g/mol
Exact Mass447.29
IUPAC Name4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
SMILESCCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H37N/c1-4-6-8-27-12-20-31(21-13-27)34(32-22-14-28(15-23-32)9-7-5-2)33-24-18-30(19-25-33)29-16-10-26(3)11-17-29/h10-25H,4-9H2,1-3H3
InChIKeyYUSDXFXWJPXTIS-UHFFFAOYSA-N
XLogP9.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
CID 89216957
CID 89216957
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 90265201
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline?
The IUPAC name of 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline (CID 58789445) is 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline.
What is the SMILES notation for 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline?
The canonical SMILES for 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline is CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline?
The InChIKey is YUSDXFXWJPXTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N/c1-4-6-8-27-12-20-31(21-13-27)34(32-22-14-28(15-23-32)9-7-5-2)33-24-18-30(19-25-33)29-16-10-26(3)11-17-29/h10-25H,4-9H2,1-3H3.
What are the key properties of 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline?
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline has a molecular weight of 447.67 g/mol, XLogP of 9.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline is sourced from PubChem (CID 58789445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).