N-benzyl-N-methanidyl-1-phenylmethanamine

C15H16N- — CID 20756684

IUPACN-benzyl-N-methanidyl-1-phenylmethanamine
SMILES[CH2-]N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H16N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,1,12-13H2/q-1
InChIKeyPSCOXPYLUIFKAT-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.48
Rot. Bonds4

About N-benzyl-N-methanidyl-1-phenylmethanamine

N-benzyl-N-methanidyl-1-phenylmethanamine (PubChem CID 20756684) has the molecular formula C15H16N- and a molecular weight of 210.30 g/mol. Its IUPAC name is N-benzyl-N-methanidyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-methanidyl-1-phenylmethanamine
PubChem CID20756684
Molecular FormulaC15H16N-
Molecular Weight210.30 g/mol
Exact Mass210.13
IUPAC NameN-benzyl-N-methanidyl-1-phenylmethanamine
SMILES[CH2-]N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H16N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,1,12-13H2/q-1
InChIKeyPSCOXPYLUIFKAT-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
potassium;N-methanidyl-N-methyl-1-phenylmethanamine;trifluoroborane
CID 175179431
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N,N-dibenzylaniline
CID 139071697
N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride
CID 175096714
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
benzyl(cyano)cyanamide
CID 151460477
tetrakis(dibenzylamino)phosphanium bromide
CID 18424458

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methanidyl-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-methanidyl-1-phenylmethanamine (CID 20756684) is N-benzyl-N-methanidyl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-methanidyl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-methanidyl-1-phenylmethanamine is [CH2-]N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methanidyl-1-phenylmethanamine?
The InChIKey is PSCOXPYLUIFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,1,12-13H2/q-1.
What are the key properties of N-benzyl-N-methanidyl-1-phenylmethanamine?
N-benzyl-N-methanidyl-1-phenylmethanamine has a molecular weight of 210.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methanidyl-1-phenylmethanamine is sourced from PubChem (CID 20756684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).