N'-benzhydrylmethanediamine

C14H16N2 — CID 142515957

IUPACN'-benzhydrylmethanediamine
SMILESNCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N2/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11,15H2
InChIKeyDMKPCBKKBVDRCV-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.28
Rot. Bonds4

About N'-benzhydrylmethanediamine

N'-benzhydrylmethanediamine (PubChem CID 142515957) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N'-benzhydrylmethanediamine.

Molecular Properties

Compound NameN'-benzhydrylmethanediamine
PubChem CID142515957
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN'-benzhydrylmethanediamine
SMILESNCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N2/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11,15H2
InChIKeyDMKPCBKKBVDRCV-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.28
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

N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-benzhydrylethanamine;ethane
CID 142974710
N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
CID 22051255
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
N-benzhydryl-2-bromopropan-1-amine
CID 57148463
N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
CID 1369382
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
3-(benzhydrylamino)-2-methylpropanamide
CID 43312171
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765
N-benzhydryl-N'-tert-butylethane-1,2-diamine
CID 107444623
(Z)-4-(benzhydrylamino)but-2-en-1-ol
CID 139636767
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339

Frequently Asked Questions

What is the IUPAC name of N'-benzhydrylmethanediamine?
The IUPAC name of N'-benzhydrylmethanediamine (CID 142515957) is N'-benzhydrylmethanediamine.
What is the SMILES notation for N'-benzhydrylmethanediamine?
The canonical SMILES for N'-benzhydrylmethanediamine is NCNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzhydrylmethanediamine?
The InChIKey is DMKPCBKKBVDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11,15H2.
What are the key properties of N'-benzhydrylmethanediamine?
N'-benzhydrylmethanediamine has a molecular weight of 212.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydrylmethanediamine is sourced from PubChem (CID 142515957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).