(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine

C10H13N — CID 71750264

IUPAC(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine
SMILES[2H]C([2H])([2H])NC/C=C/c1ccccc1
InChIInChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+/i1D3
InChIKeyRHPMSSCVPPONDM-NQLCZJPGSA-N
MW150.24 g/mol
LogP1.92
Rot. Bonds4

About (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine

(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine (PubChem CID 71750264) has the molecular formula C10H13N and a molecular weight of 150.24 g/mol. Its IUPAC name is (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine
PubChem CID71750264
Molecular FormulaC10H13N
Molecular Weight150.24 g/mol
Exact Mass150.12
IUPAC Name(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine
SMILES[2H]C([2H])([2H])NC/C=C/c1ccccc1
InChIInChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+/i1D3
InChIKeyRHPMSSCVPPONDM-NQLCZJPGSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine 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

2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine
CID 169474688
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
benzene;but-1-enylbenzene
CID 157481332
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
N-[(E)-3-phenylprop-2-enyl]but-2-yn-1-amine
CID 112693036
2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532
2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 70585759

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine (CID 71750264) is (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine is [2H]C([2H])([2H])NC/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine?
The InChIKey is RHPMSSCVPPONDM-NQLCZJPGSA-N. The full InChI is InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+/i1D3.
What are the key properties of (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine?
(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine has a molecular weight of 150.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine is sourced from PubChem (CID 71750264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).