N-(deuteriomethyl)aniline

C7H9N — CID 176907419

IUPACN-(deuteriomethyl)aniline
SMILES[2H]CNc1ccccc1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3/i1D
InChIKeyAFBPFSWMIHJQDM-MICDWDOJSA-N
MW108.16 g/mol
LogP1.73
Rot. Bonds2

About N-(deuteriomethyl)aniline

N-(deuteriomethyl)aniline (PubChem CID 176907419) has the molecular formula C7H9N and a molecular weight of 108.16 g/mol. Its IUPAC name is N-(deuteriomethyl)aniline.

Molecular Properties

Compound NameN-(deuteriomethyl)aniline
PubChem CID176907419
Molecular FormulaC7H9N
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC NameN-(deuteriomethyl)aniline
SMILES[2H]CNc1ccccc1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3/i1D
InChIKeyAFBPFSWMIHJQDM-MICDWDOJSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(deuteriomethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157283458
CID 157283458
magnesium;N-methylaniline;bromide
CID 173157225
potassium;hydride;N-methylaniline
CID 174147350
magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530
azane;cyclopropane;N-methylaniline
CID 23460316
butane;ethane;N-methylaniline
CID 143420786
N-methylaniline;piperazine
CID 157393585
benzene;bis(N-prop-1-enylaniline)
CID 70363490
1-anilinoethylidenechromium
CID 519989
N-methylazecin-6-amine
CID 146292904
magnesium;N-ethylaniline;dibromide
CID 175384218
methane;N-methylaniline;N-phenylmethanimine
CID 158138323

Frequently Asked Questions

What is the IUPAC name of N-(deuteriomethyl)aniline?
The IUPAC name of N-(deuteriomethyl)aniline (CID 176907419) is N-(deuteriomethyl)aniline.
What is the SMILES notation for N-(deuteriomethyl)aniline?
The canonical SMILES for N-(deuteriomethyl)aniline is [2H]CNc1ccccc1.
What is the InChIKey of N-(deuteriomethyl)aniline?
The InChIKey is AFBPFSWMIHJQDM-MICDWDOJSA-N. The full InChI is InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3/i1D.
What are the key properties of N-(deuteriomethyl)aniline?
N-(deuteriomethyl)aniline has a molecular weight of 108.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(deuteriomethyl)aniline is sourced from PubChem (CID 176907419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).