N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline

C34H32N2 — CID 11525647

IUPACN-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
SMILESc1ccc(CNc2ccccc2Cc2cccc(Cc3ccccc3NCc3ccccc3)c2)cc1
InChIInChI=1S/C34H32N2/c1-3-12-27(13-4-1)25-35-33-20-9-7-18-31(33)23-29-16-11-17-30(22-29)24-32-19-8-10-21-34(32)36-26-28-14-5-2-6-15-28/h1-22,35-36H,23-26H2
InChIKeyVQYCTYXMZRQXLX-UHFFFAOYSA-N
MW468.64 g/mol
LogP8.09
Rot. Bonds10

About N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline

N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline (PubChem CID 11525647) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
PubChem CID11525647
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC NameN-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
SMILESc1ccc(CNc2ccccc2Cc2cccc(Cc3ccccc3NCc3ccccc3)c2)cc1
InChIInChI=1S/C34H32N2/c1-3-12-27(13-4-1)25-35-33-20-9-7-18-31(33)23-29-16-11-17-30(22-29)24-32-19-8-10-21-34(32)36-26-28-14-5-2-6-15-28/h1-22,35-36H,23-26H2
InChIKeyVQYCTYXMZRQXLX-UHFFFAOYSA-N
XLogP8.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(chloromethyl)aniline
CID 15078992
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one
CID 157431999
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
2-benzyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554179
N-benzyl-2,3-difluoroaniline
CID 21321341
N-(2-benzylphenyl)hydroxylamine
CID 3014197
2-(benzylamino)cyclohepta-2,4,6-triene-1-thione
CID 767429
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695
1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
CID 174482697
2-benzyl-N-(3-fluoropropyl)aniline
CID 81106198
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline?
The IUPAC name of N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline (CID 11525647) is N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline.
What is the SMILES notation for N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline?
The canonical SMILES for N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline is c1ccc(CNc2ccccc2Cc2cccc(Cc3ccccc3NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline?
The InChIKey is VQYCTYXMZRQXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-3-12-27(13-4-1)25-35-33-20-9-7-18-31(33)23-29-16-11-17-30(22-29)24-32-19-8-10-21-34(32)36-26-28-14-5-2-6-15-28/h1-22,35-36H,23-26H2.
What are the key properties of N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline?
N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline has a molecular weight of 468.64 g/mol, XLogP of 8.09, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline is sourced from PubChem (CID 11525647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).