N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline

C31H39N — CID 89294997

IUPACN-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline
SMILESC=Cc1cccc(N(c2ccc(C(C)CC)cc2)c2ccc(C(C)(CC)CCC)cc2)c1
InChIInChI=1S/C31H39N/c1-7-22-31(6,10-4)27-16-20-29(21-17-27)32(30-13-11-12-25(9-3)23-30)28-18-14-26(15-19-28)24(5)8-2/h9,11-21,23-24H,3,7-8,10,22H2,1-2,4-6H3
InChIKeyYNOCIKBSKMCGKD-UHFFFAOYSA-N
MW425.66 g/mol
LogP9.78
Rot. Bonds10

About N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline

N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline (PubChem CID 89294997) has the molecular formula C31H39N and a molecular weight of 425.66 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline
PubChem CID89294997
Molecular FormulaC31H39N
Molecular Weight425.66 g/mol
Exact Mass425.31
IUPAC NameN-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline
SMILESC=Cc1cccc(N(c2ccc(C(C)CC)cc2)c2ccc(C(C)(CC)CCC)cc2)c1
InChIInChI=1S/C31H39N/c1-7-22-31(6,10-4)27-16-20-29(21-17-27)32(30-13-11-12-25(9-3)23-30)28-18-14-26(15-19-28)24(5)8-2/h9,11-21,23-24H,3,7-8,10,22H2,1-2,4-6H3
InChIKeyYNOCIKBSKMCGKD-UHFFFAOYSA-N
XLogP9.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89344348
3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline
CID 89294487
1-N,4-N-bis(3-ethenylphenyl)-1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]benzene-1,4-diamine;ethane;propane
CID 143729864
4-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]aniline
CID 143498666
N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine
CID 70901590
ethane;3-ethenyl-N,N-diphenylaniline
CID 123345777
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-N-(4-butan-2-ylphenyl)-1-N-(4-tert-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 170087377
2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine
CID 89344519
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466
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
4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline
CID 89295001

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline (CID 89294997) is N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline is C=Cc1cccc(N(c2ccc(C(C)CC)cc2)c2ccc(C(C)(CC)CCC)cc2)c1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
The InChIKey is YNOCIKBSKMCGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N/c1-7-22-31(6,10-4)27-16-20-29(21-17-27)32(30-13-11-12-25(9-3)23-30)28-18-14-26(15-19-28)24(5)8-2/h9,11-21,23-24H,3,7-8,10,22H2,1-2,4-6H3.
What are the key properties of N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline?
N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline has a molecular weight of 425.66 g/mol, XLogP of 9.78, 10 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)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline is sourced from PubChem (CID 89294997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).