N-benzyl-N'-phenylmethanediamine

C14H16N2 — CID 151589453

IUPACN-benzyl-N'-phenylmethanediamine
SMILESc1ccc(CNCNc2ccccc2)cc1
InChIInChI=1S/C14H16N2/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyDIIPUOAUJMFOOW-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.85
Rot. Bonds5

About N-benzyl-N'-phenylmethanediamine

N-benzyl-N'-phenylmethanediamine (PubChem CID 151589453) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-benzyl-N'-phenylmethanediamine.

Molecular Properties

Compound NameN-benzyl-N'-phenylmethanediamine
PubChem CID151589453
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-benzyl-N'-phenylmethanediamine
SMILESc1ccc(CNCNc2ccccc2)cc1
InChIInChI=1S/C14H16N2/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyDIIPUOAUJMFOOW-UHFFFAOYSA-N
XLogP2.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 163931246
CID 163931246
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[(benzylamino)methyl]formamide
CID 12511023
4-(benzylamino)phenol;hydrochloride
CID 16738613
2-[(benzylamino)methylamino]ethanol
CID 57472463
N,N'-diphenylmethanediamine;ethane-1,2-diol
CID 160711297
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
(benzylamino)methanethiol
CID 88942779
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
N-[(benzylamino)methyl]-methylboronamidic acid
CID 20701274
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-phenylmethanediamine?
The IUPAC name of N-benzyl-N'-phenylmethanediamine (CID 151589453) is N-benzyl-N'-phenylmethanediamine.
What is the SMILES notation for N-benzyl-N'-phenylmethanediamine?
The canonical SMILES for N-benzyl-N'-phenylmethanediamine is c1ccc(CNCNc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N'-phenylmethanediamine?
The InChIKey is DIIPUOAUJMFOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of N-benzyl-N'-phenylmethanediamine?
N-benzyl-N'-phenylmethanediamine has a molecular weight of 212.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-phenylmethanediamine is sourced from PubChem (CID 151589453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).