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

C12H17ClFN — CID 171204037

IUPAC(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(C)ccc1F.Cl
InChIInChI=1S/C12H16FN.ClH/c1-3-4-5-12(14)10-8-9(2)6-7-11(10)13;/h3,6-8,12H,1,4-5,14H2,2H3;1H/t12-;/m1./s1
InChIKeyFXSUGROEJNUDDP-UTONKHPSSA-N
MW229.73 g/mol
LogP3.52
Rot. Bonds4

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

(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171204037) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171204037
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(C)ccc1F.Cl
InChIInChI=1S/C12H16FN.ClH/c1-3-4-5-12(14)10-8-9(2)6-7-11(10)13;/h3,6-8,12H,1,4-5,14H2,2H3;1H/t12-;/m1./s1
InChIKeyFXSUGROEJNUDDP-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

(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(2-bromo-5-methylphenyl)pent-4-en-1-amine
CID 104987802
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
CID 105311474
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(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;hydrochloride?
The IUPAC name of (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride (CID 171204037) is (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cc(C)ccc1F.Cl.
What is the InChIKey of (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is FXSUGROEJNUDDP-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16FN.ClH/c1-3-4-5-12(14)10-8-9(2)6-7-11(10)13;/h3,6-8,12H,1,4-5,14H2,2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(2-fluoro-5-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-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171204037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).