(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride

C12H17ClFN — CID 171204371

IUPAC(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(C)c(F)c1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-3-4-5-12(14)10-7-6-9(2)11(13)8-10;/h3,6-8,12H,1,4-5,14H2,2H3;1H/t12-;/m1./s1
InChIKeyBWUAYMIXGRFKQR-UTONKHPSSA-N
MW229.73 g/mol
LogP3.52
Rot. Bonds4

About (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171204371) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171204371
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccc(C)c(F)c1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-3-4-5-12(14)10-7-6-9(2)11(13)8-10;/h3,6-8,12H,1,4-5,14H2,2H3;1H/t12-;/m1./s1
InChIKeyBWUAYMIXGRFKQR-UTONKHPSSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171205839
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
(1R)-1-(4-methyl-3-nitrophenyl)pent-4-en-1-amine;hydrochloride
CID 171206960
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227921
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209890
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride (CID 171204371) is (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1ccc(C)c(F)c1.Cl.
What is the InChIKey of (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is BWUAYMIXGRFKQR-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16FN.ClH/c1-3-4-5-12(14)10-7-6-9(2)11(13)8-10;/h3,6-8,12H,1,4-5,14H2,2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171204371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).