2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride

C12H17ClFNO — CID 66983281

IUPAC2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
SMILESCOc1cccc(CCC=C(F)CN)c1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-15-12-7-3-5-10(8-12)4-2-6-11(13)9-14;/h3,5-8H,2,4,9,14H2,1H3;1H
InChIKeyREPWMURIZVJMPP-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.86
Rot. Bonds5

About 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride

2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride (PubChem CID 66983281) has the molecular formula C12H17ClFNO and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
PubChem CID66983281
Molecular FormulaC12H17ClFNO
Molecular Weight245.73 g/mol
Exact Mass245.10
IUPAC Name2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
SMILESCOc1cccc(CCC=C(F)CN)c1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-15-12-7-3-5-10(8-12)4-2-6-11(13)9-14;/h3,5-8H,2,4,9,14H2,1H3;1H
InChIKeyREPWMURIZVJMPP-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66983257
(Z)-2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983256
(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
CID 66983045
2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione
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(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
CID 66983268
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984
1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
CID 68508341
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79591009
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CID 105463202

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride (CID 66983281) is 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride is COc1cccc(CCC=C(F)CN)c1.Cl.
What is the InChIKey of 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride?
The InChIKey is REPWMURIZVJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-15-12-7-3-5-10(8-12)4-2-6-11(13)9-14;/h3,5-8H,2,4,9,14H2,1H3;1H.
What are the key properties of 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride?
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride has a molecular weight of 245.73 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66983281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).