N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline

C27H33N — CID 143650432

IUPACN-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline
SMILESCCCc1ccc(N(c2ccc(CC)cc2)c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C27H33N/c1-5-8-23-11-17-26(18-12-23)28(25-15-9-22(7-3)10-16-25)27-19-13-24(14-20-27)21(4)6-2/h9-21H,5-8H2,1-4H3
InChIKeyVSJVZTUHFMSJBV-UHFFFAOYSA-N
MW371.57 g/mol
LogP8.18
Rot. Bonds8

About N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline

N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline (PubChem CID 143650432) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline
PubChem CID143650432
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC NameN-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline
SMILESCCCc1ccc(N(c2ccc(CC)cc2)c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C27H33N/c1-5-8-23-11-17-26(18-12-23)28(25-15-9-22(7-3)10-16-25)27-19-13-24(14-20-27)21(4)6-2/h9-21H,5-8H2,1-4H3
InChIKeyVSJVZTUHFMSJBV-UHFFFAOYSA-N
XLogP8.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline
CID 59722331
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane
CID 159928201
1-butan-2-yl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,4-xylene
CID 157322735
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline (CID 143650432) is N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline is CCCc1ccc(N(c2ccc(CC)cc2)c2ccc(C(C)CC)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline?
The InChIKey is VSJVZTUHFMSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N/c1-5-8-23-11-17-26(18-12-23)28(25-15-9-22(7-3)10-16-25)27-19-13-24(14-20-27)21(4)6-2/h9-21H,5-8H2,1-4H3.
What are the key properties of N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline?
N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline has a molecular weight of 371.57 g/mol, XLogP of 8.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline is sourced from PubChem (CID 143650432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).