N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane

C25H33N — CID 159095466

IUPACN-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
SMILESC.C.CCC(C)c1ccc(N(c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C23H25N.2CH4/c1-4-19(3)20-13-15-22(16-14-20)24(21-10-6-5-7-11-21)23-12-8-9-18(2)17-23;;/h5-17,19H,4H2,1-3H3;2*1H4
InChIKeyKCPMHGSJJBRJJN-UHFFFAOYSA-N
MW347.55 g/mol
LogP8.25
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane

N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane (PubChem CID 159095466) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
PubChem CID159095466
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC NameN-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
SMILESC.C.CCC(C)c1ccc(N(c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C23H25N.2CH4/c1-4-19(3)20-13-15-22(16-14-20)24(21-10-6-5-7-11-21)23-12-8-9-18(2)17-23;;/h5-17,19H,4H2,1-3H3;2*1H4
InChIKeyKCPMHGSJJBRJJN-UHFFFAOYSA-N
XLogP8.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane (CID 159095466) is N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane is C.C.CCC(C)c1ccc(N(c2ccccc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane?
The InChIKey is KCPMHGSJJBRJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N.2CH4/c1-4-19(3)20-13-15-22(16-14-20)24(21-10-6-5-7-11-21)23-12-8-9-18(2)17-23;;/h5-17,19H,4H2,1-3H3;2*1H4.
What are the key properties of N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane?
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane has a molecular weight of 347.55 g/mol, XLogP of 8.25, 5 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-methyl-N-phenylaniline;methane is sourced from PubChem (CID 159095466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).