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

C11H15ClFNO — CID 66983257

IUPAC2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
SMILESCOc1cccc(CC=C(F)CN)c1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-11-4-2-3-9(7-11)5-6-10(12)8-13;/h2-4,6-7H,5,8,13H2,1H3;1H
InChIKeySISPSLYHDLPJPX-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.47
Rot. Bonds4

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

2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride (PubChem CID 66983257) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
PubChem CID66983257
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
SMILESCOc1cccc(CC=C(F)CN)c1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-11-4-2-3-9(7-11)5-6-10(12)8-13;/h2-4,6-7H,5,8,13H2,1H3;1H
InChIKeySISPSLYHDLPJPX-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983256
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
CID 66983045
(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
CID 66983268
3-[(E)-4-amino-3-fluorobut-2-enyl]-N,N-dimethylaniline;hydrochloride
CID 66982993
(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine
CID 25013451
(E)-5-(3-methoxyphenyl)-3-methylpent-3-enal
CID 10584336
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984
2-(3-methoxyphenyl)ethanimine
CID 23345218
(3-methoxyphenyl)(113C)methanol
CID 11593446
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79591009
3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane
CID 159321340

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride (CID 66983257) is 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride is COc1cccc(CC=C(F)CN)c1.Cl.
What is the InChIKey of 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride?
The InChIKey is SISPSLYHDLPJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-14-11-4-2-3-9(7-11)5-6-10(12)8-13;/h2-4,6-7H,5,8,13H2,1H3;1H.
What are the key properties of 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride?
2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66983257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).