1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride

C10H15ClFNO — CID 167713058

IUPAC1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1cccc(OC)c1F.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-3-8(12)7-5-4-6-9(13-2)10(7)11;/h4-6,8H,3,12H2,1-2H3;1H
InChIKeyXQLYFXRLFZZYBN-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride

1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 167713058) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID167713058
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1cccc(OC)c1F.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-3-8(12)7-5-4-6-9(13-2)10(7)11;/h4-6,8H,3,12H2,1-2H3;1H
InChIKeyXQLYFXRLFZZYBN-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(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
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171205721
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
1-(2-fluoro-3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148107
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
CID 82807174
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride (CID 167713058) is 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride is CCC(N)c1cccc(OC)c1F.Cl.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is XQLYFXRLFZZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-3-8(12)7-5-4-6-9(13-2)10(7)11;/h4-6,8H,3,12H2,1-2H3;1H.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride?
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 167713058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).