(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine

C10H11F2N — CID 117279410

IUPAC(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
SMILESCc1c(F)cc(/C=C/CN)cc1F
InChIInChI=1S/C10H11F2N/c1-7-9(11)5-8(3-2-4-13)6-10(7)12/h2-3,5-6H,4,13H2,1H3/b3-2+
InChIKeyBANKRYFOGYWHGG-NSCUHMNNSA-N
MW183.20 g/mol
LogP2.25
Rot. Bonds2

About (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine

(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine (PubChem CID 117279410) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
PubChem CID117279410
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
SMILESCc1c(F)cc(/C=C/CN)cc1F
InChIInChI=1S/C10H11F2N/c1-7-9(11)5-8(3-2-4-13)6-10(7)12/h2-3,5-6H,4,13H2,1H3/b3-2+
InChIKeyBANKRYFOGYWHGG-NSCUHMNNSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-3-(3,5-difluoro-4-methylphenyl)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

5-[(E)-3-aminoprop-1-enyl]-2,3-difluoroaniline
CID 115111057
4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
CID 169463839
(E)-3-(3-fluoro-4-methylsulfonylphenyl)prop-2-en-1-amine
CID 117330415
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
(E)-3-(3-bromo-4,5-difluorophenyl)prop-2-en-1-amine
CID 117372631
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
CID 115111094
(E)-3-(3-bromo-4-fluoro-5-methylphenyl)prop-2-en-1-amine
CID 117361697
3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine
CID 169463504
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
methyl 5-[(E)-3-aminoprop-1-enyl]-3-fluoro-2-methoxybenzoate
CID 117350271

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine (CID 117279410) is (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine is Cc1c(F)cc(/C=C/CN)cc1F.
What is the InChIKey of (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine?
The InChIKey is BANKRYFOGYWHGG-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11F2N/c1-7-9(11)5-8(3-2-4-13)6-10(7)12/h2-3,5-6H,4,13H2,1H3/b3-2+.
What are the key properties of (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine?
(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117279410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).