(E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine

C12H16FN — CID 117283957

IUPAC(E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine
SMILESCC(F)Cc1cccc(/C=C/CN)c1
InChIInChI=1S/C12H16FN/c1-10(13)8-12-5-2-4-11(9-12)6-3-7-14/h2-6,9-10H,7-8,14H2,1H3/b6-3+
InChIKeyNSZAPUQXXDGRPF-ZZXKWVIFSA-N
MW193.26 g/mol
LogP2.56
Rot. Bonds4

About (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine

(E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine (PubChem CID 117283957) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine
PubChem CID117283957
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine
SMILESCC(F)Cc1cccc(/C=C/CN)c1
InChIInChI=1S/C12H16FN/c1-10(13)8-12-5-2-4-11(9-12)6-3-7-14/h2-6,9-10H,7-8,14H2,1H3/b6-3+
InChIKeyNSZAPUQXXDGRPF-ZZXKWVIFSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-3-[3-(2-fluoropropyl)phenyl]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

(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546322
2-[3-(2-fluoropropyl)phenyl]ethanamine
CID 84658162
methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
CID 169464038
3-(3-methylsulfanylphenyl)prop-2-en-1-amine
CID 169463170
(E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine
CID 89189578
(E)-N-(2-methylpropyl)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546333
(E)-3-[3-(2-phenylethylsulfanyl)phenyl]prop-2-en-1-amine
CID 45138562
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
CID 89151097
3-(2-fluoropropyl)benzonitrile
CID 117276196
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
3-(2-fluoropropyl)benzoic acid
CID 84658380

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine (CID 117283957) is (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine is CC(F)Cc1cccc(/C=C/CN)c1.
What is the InChIKey of (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine?
The InChIKey is NSZAPUQXXDGRPF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H16FN/c1-10(13)8-12-5-2-4-11(9-12)6-3-7-14/h2-6,9-10H,7-8,14H2,1H3/b6-3+.
What are the key properties of (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine?
(E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117283957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).