(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride

C12H17ClFNO — CID 171205721

IUPAC(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(OC)c1F.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-3-4-7-10(14)9-6-5-8-11(15-2)12(9)13;/h3,5-6,8,10H,1,4,7,14H2,2H3;1H/t10-;/m1./s1
InChIKeyJJTAXYIUTWURDA-HNCPQSOCSA-N
MW245.72 g/mol
LogP3.22
Rot. Bonds5

About (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171205721) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171205721
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(OC)c1F.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-3-4-7-10(14)9-6-5-8-11(15-2)12(9)13;/h3,5-6,8,10H,1,4,7,14H2,2H3;1H/t10-;/m1./s1
InChIKeyJJTAXYIUTWURDA-HNCPQSOCSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
(1R)-1-(2,6-difluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171215754
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
(1S)-1-(2-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171225298
1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
CID 105025092
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
1-(2-fluoro-3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148107
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride (CID 171205721) is (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cccc(OC)c1F.Cl.
What is the InChIKey of (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is JJTAXYIUTWURDA-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-3-4-7-10(14)9-6-5-8-11(15-2)12(9)13;/h3,5-6,8,10H,1,4,7,14H2,2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171205721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).