(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride

C11H15ClFNO2 — CID 6440762

IUPAC(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
SMILESCOc1ccc(/C(=C\F)CN)cc1OC.Cl
InChIInChI=1S/C11H14FNO2.ClH/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13;/h3-6H,7,13H2,1-2H3;1H/b9-6-;
InChIKeyKTOKADJRXBGOMY-BORNJIKYSA-N
MW247.70 g/mol
LogP2.39
Rot. Bonds4

About (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride

(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride (PubChem CID 6440762) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
PubChem CID6440762
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
SMILESCOc1ccc(/C(=C\F)CN)cc1OC.Cl
InChIInChI=1S/C11H14FNO2.ClH/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13;/h3-6H,7,13H2,1-2H3;1H/b9-6-;
InChIKeyKTOKADJRXBGOMY-BORNJIKYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
4-(2-fluoroethoxy)-3-methoxybenzenecarbothioamide
CID 80693896
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
CID 63970099
1-(3,4-dimethoxyphenyl)-3-methoxyprop-2-en-1-one
CID 174439802
3-amino-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 70025208
2-bromo-1-(3,4-dimethoxyphenyl)-2-fluoroethanone
CID 57154420
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
3,4-dimethoxybenzoic acid;methanol
CID 144580050
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
methylsulfanylmethyl 3,4-dimethoxybenzoate
CID 70677984
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride (CID 6440762) is (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride is COc1ccc(/C(=C\F)CN)cc1OC.Cl.
What is the InChIKey of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
The InChIKey is KTOKADJRXBGOMY-BORNJIKYSA-N. The full InChI is InChI=1S/C11H14FNO2.ClH/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13;/h3-6H,7,13H2,1-2H3;1H/b9-6-;.
What are the key properties of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride has a molecular weight of 247.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6440762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).