N,N-dibenzylaniline

C40H38N2 — CID 139071697

IUPACN,N-dibenzylaniline
SMILESc1ccc(CN(Cc2ccccc2)c2ccccc2)cc1.c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C20H19N/c2*1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h2*1-15H,16-17H2
InChIKeySCDAGRJWBRKGPN-UHFFFAOYSA-N
MW546.76 g/mol
LogP9.79
Rot. Bonds10

About N,N-dibenzylaniline

N,N-dibenzylaniline (PubChem CID 139071697) has the molecular formula C40H38N2 and a molecular weight of 546.76 g/mol. Its IUPAC name is N,N-dibenzylaniline.

Molecular Properties

Compound NameN,N-dibenzylaniline
PubChem CID139071697
Molecular FormulaC40H38N2
Molecular Weight546.76 g/mol
Exact Mass546.30
IUPAC NameN,N-dibenzylaniline
SMILESc1ccc(CN(Cc2ccccc2)c2ccccc2)cc1.c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C20H19N/c2*1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h2*1-15H,16-17H2
InChIKeySCDAGRJWBRKGPN-UHFFFAOYSA-N
XLogP9.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.76
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzylpyridin-4-amine
CID 15006775
N-benzyl-N-propylaniline
CID 14671265
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
N,N-dibenzyl-4-(2-phenylethenyl)aniline
CID 54154139
N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline
CID 18716633
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
N,N-bis[(4-ethenylphenyl)methyl]aniline
CID 86166362
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
N-benzyl-N-(5-phenylpentyl)aniline
CID 18790289
N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
CID 6603723
2-(N-benzylanilino)ethyl-trimethylazanium iodide
CID 14450569
4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylaniline?
The IUPAC name of N,N-dibenzylaniline (CID 139071697) is N,N-dibenzylaniline.
What is the SMILES notation for N,N-dibenzylaniline?
The canonical SMILES for N,N-dibenzylaniline is c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1.c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dibenzylaniline?
The InChIKey is SCDAGRJWBRKGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19N/c2*1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h2*1-15H,16-17H2.
What are the key properties of N,N-dibenzylaniline?
N,N-dibenzylaniline has a molecular weight of 546.76 g/mol, XLogP of 9.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylaniline is sourced from PubChem (CID 139071697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).