N'-benzyl-N-methyl-1-phenylmethanediamine

C15H18N2 — CID 118518516

IUPACN'-benzyl-N-methyl-1-phenylmethanediamine
SMILESCNC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11,15-17H,12H2,1H3
InChIKeyCIFOCAGTTIRWIB-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.69
Rot. Bonds5

About N'-benzyl-N-methyl-1-phenylmethanediamine

N'-benzyl-N-methyl-1-phenylmethanediamine (PubChem CID 118518516) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-benzyl-N-methyl-1-phenylmethanediamine.

Molecular Properties

Compound NameN'-benzyl-N-methyl-1-phenylmethanediamine
PubChem CID118518516
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN'-benzyl-N-methyl-1-phenylmethanediamine
SMILESCNC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11,15-17H,12H2,1H3
InChIKeyCIFOCAGTTIRWIB-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
N-benzyl-1-silylethanamine
CID 173405128
3-(benzylamino)-1-phenylbutan-1-ol
CID 70615080
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine
CID 176994926
borane;N-methyl-1-phenylmethanamine
CID 134979061

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-methyl-1-phenylmethanediamine?
The IUPAC name of N'-benzyl-N-methyl-1-phenylmethanediamine (CID 118518516) is N'-benzyl-N-methyl-1-phenylmethanediamine.
What is the SMILES notation for N'-benzyl-N-methyl-1-phenylmethanediamine?
The canonical SMILES for N'-benzyl-N-methyl-1-phenylmethanediamine is CNC(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-methyl-1-phenylmethanediamine?
The InChIKey is CIFOCAGTTIRWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11,15-17H,12H2,1H3.
What are the key properties of N'-benzyl-N-methyl-1-phenylmethanediamine?
N'-benzyl-N-methyl-1-phenylmethanediamine has a molecular weight of 226.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-methyl-1-phenylmethanediamine is sourced from PubChem (CID 118518516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).