N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine

C16H20N2O — CID 116909235

IUPACN,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
SMILESCNC(c1ccc(Oc2ccccc2)cc1)N(C)C
InChIInChI=1S/C16H20N2O/c1-17-16(18(2)3)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h4-12,16-17H,1-3H3
InChIKeyZAHUVXRCEAADQW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.26
Rot. Bonds5

About N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine

N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine (PubChem CID 116909235) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine.

Molecular Properties

Compound NameN,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
PubChem CID116909235
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
SMILESCNC(c1ccc(Oc2ccccc2)cc1)N(C)C
InChIInChI=1S/C16H20N2O/c1-17-16(18(2)3)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h4-12,16-17H,1-3H3
InChIKeyZAHUVXRCEAADQW-UHFFFAOYSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine 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

1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909199
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
dimethylamino-(4-phenoxyphenyl)methanol
CID 116909552
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
buta-1,3-diene;N,N-dimethyl-1-(4-phenoxyphenyl)ethanamine;ethane
CID 145029276
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43482181
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
3-(methylamino)-2-(4-phenoxyphenyl)propan-1-ol
CID 116835477
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534

Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine?
The IUPAC name of N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine (CID 116909235) is N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine.
What is the SMILES notation for N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine?
The canonical SMILES for N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine is CNC(c1ccc(Oc2ccccc2)cc1)N(C)C.
What is the InChIKey of N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine?
The InChIKey is ZAHUVXRCEAADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-16(18(2)3)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h4-12,16-17H,1-3H3.
What are the key properties of N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine?
N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine has a molecular weight of 256.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine is sourced from PubChem (CID 116909235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).