N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline

C27H25N — CID 154167972

IUPACN-benzhydryl-3-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2cccc(C)c2)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H25N/c1-21-11-9-17-25(19-21)28(26-18-10-12-22(2)20-26)27(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-20,27H,1-2H3
InChIKeyQEAOMCNKEOHDCL-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.23
Rot. Bonds5

About N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline

N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline (PubChem CID 154167972) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound NameN-benzhydryl-3-methyl-N-(3-methylphenyl)aniline
PubChem CID154167972
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC NameN-benzhydryl-3-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2cccc(C)c2)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H25N/c1-21-11-9-17-25(19-21)28(26-18-10-12-22(2)20-26)27(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-20,27H,1-2H3
InChIKeyQEAOMCNKEOHDCL-UHFFFAOYSA-N
XLogP7.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methyl-N,N-diphenylaniline
CID 145208007
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
(N-ethyl-3-methylanilino)-phenylmethanesulfonic acid
CID 54298056
2-amino-N-methyl-N-(3-methylphenyl)-2-phenylacetamide
CID 76931148
N-(2-chloroethyl)-3-methyl-N-(1-phenylethyl)aniline
CID 22762419
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-[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-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
CID 138691650
CID 138691650
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
1-[fluoro(phenyl)methyl]-3-methylbenzene
CID 54364294

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline (CID 154167972) is N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline is Cc1cccc(N(c2cccc(C)c2)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline?
The InChIKey is QEAOMCNKEOHDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-21-11-9-17-25(19-21)28(26-18-10-12-22(2)20-26)27(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-20,27H,1-2H3.
What are the key properties of N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline?
N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline has a molecular weight of 363.50 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 154167972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).