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

C15H18N2 — CID 118464289

IUPACN'-benzyl-N'-methyl-1-phenylmethanediamine
SMILESCN(Cc1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C15H18N2/c1-17(12-13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h2-11,15H,12,16H2,1H3
InChIKeyLGNRFJTZDQSUMY-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.78
Rot. Bonds4

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

N'-benzyl-N'-methyl-1-phenylmethanediamine (PubChem CID 118464289) 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 CID118464289
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN'-benzyl-N'-methyl-1-phenylmethanediamine
SMILESCN(Cc1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C15H18N2/c1-17(12-13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h2-11,15H,12,16H2,1H3
InChIKeyLGNRFJTZDQSUMY-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
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-N-methyl-1-phenylethanamine
CID 122522292
N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
CID 156529425
N-benzyl-N-methylbutan-2-amine
CID 15496809
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
(2R)-2-[amino(benzyl)amino]-2-phenylethanol
CID 15856855
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
1-benzyl-1-[(1S)-1-phenylethyl]hydrazine
CID 101079144

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 118464289) 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 CN(Cc1ccccc1)C(N)c1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-1-phenylmethanediamine?
The InChIKey is LGNRFJTZDQSUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-17(12-13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h2-11,15H,12,16H2,1H3.
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 2.78, 4 rotatable bonds, 1 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 118464289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).