[4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine

C14H15NO — CID 171381536

IUPAC[4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine
SMILES[2H]C([2H])([2H])Oc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C14H15NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3/i1D3
InChIKeyIWMYHDWDAGSRFY-FIBGUPNXSA-N
MW216.30 g/mol
LogP2.82
Rot. Bonds4

About [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine

[4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine (PubChem CID 171381536) has the molecular formula C14H15NO and a molecular weight of 216.30 g/mol. Its IUPAC name is [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine
PubChem CID171381536
Molecular FormulaC14H15NO
Molecular Weight216.30 g/mol
Exact Mass216.13
IUPAC Name[4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine
SMILES[2H]C([2H])([2H])Oc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C14H15NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3/i1D3
InChIKeyIWMYHDWDAGSRFY-FIBGUPNXSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine 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

[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
bis[4-[4-(aminomethyl)phenyl]phenyl] carbonate
CID 140708041
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
CID 155798142
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine?
The IUPAC name of [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine (CID 171381536) is [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine is [2H]C([2H])([2H])Oc1ccc(-c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine?
The InChIKey is IWMYHDWDAGSRFY-FIBGUPNXSA-N. The full InChI is InChI=1S/C14H15NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3/i1D3.
What are the key properties of [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine?
[4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine has a molecular weight of 216.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 171381536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).