(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine

C12H16FN — CID 171204036

IUPAC(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1cc(C)ccc1F
InChIInChI=1S/C12H16FN/c1-3-4-5-12(14)10-8-9(2)6-7-11(10)13/h3,6-8,12H,1,4-5,14H2,2H3/t12-/m1/s1
InChIKeyXVVQRVCSGDSGMI-GFCCVEGCSA-N
MW193.26 g/mol
LogP3.10
Rot. Bonds4

About (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine

(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine (PubChem CID 171204036) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
PubChem CID171204036
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1cc(C)ccc1F
InChIInChI=1S/C12H16FN/c1-3-4-5-12(14)10-8-9(2)6-7-11(10)13/h3,6-8,12H,1,4-5,14H2,2H3/t12-/m1/s1
InChIKeyXVVQRVCSGDSGMI-GFCCVEGCSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-1-(2-fluoro-5-methylphenyl)pent-4-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

(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(2-bromo-5-methylphenyl)pent-4-en-1-amine
CID 104987802
1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
CID 105311474
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
(1S)-1-(2-fluoro-5-nitrophenyl)pent-4-en-1-amine;hydrochloride
CID 171225556
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine?
The IUPAC name of (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine (CID 171204036) is (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine.
What is the SMILES notation for (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine?
The canonical SMILES for (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine is C=CCC[C@@H](N)c1cc(C)ccc1F.
What is the InChIKey of (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine?
The InChIKey is XVVQRVCSGDSGMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-4-5-12(14)10-8-9(2)6-7-11(10)13/h3,6-8,12H,1,4-5,14H2,2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine?
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 171204036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).