(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride

C11H14Cl2FN — CID 171209326

IUPAC(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C11H13ClFN.ClH/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13;/h2,4-6,10H,1,3,7,14H2;1H/t10-;/m1./s1
InChIKeyVWGGZWVVTRTWRY-HNCPQSOCSA-N
MW250.14 g/mol
LogP3.87
Rot. Bonds4

About (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171209326) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171209326
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C11H13ClFN.ClH/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13;/h2,4-6,10H,1,3,7,14H2;1H/t10-;/m1./s1
InChIKeyVWGGZWVVTRTWRY-HNCPQSOCSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride 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-(3-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171228893
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171205721
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride (CID 171209326) is (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cccc(Cl)c1F.Cl.
What is the InChIKey of (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is VWGGZWVVTRTWRY-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13ClFN.ClH/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13;/h2,4-6,10H,1,3,7,14H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 250.14 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171209326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).