2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride

C10H14Cl2FNO2 — CID 170893643

IUPAC2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1c(F)cc(CC(N)CO)cc1Cl.Cl
InChIInChI=1S/C10H13ClFNO2.ClH/c1-15-10-8(11)3-6(4-9(10)12)2-7(13)5-14;/h3-4,7,14H,2,5,13H2,1H3;1H
InChIKeyDAEGIIZMIXNDIB-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride

2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 170893643) has the molecular formula C10H14Cl2FNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
PubChem CID170893643
Molecular FormulaC10H14Cl2FNO2
Molecular Weight270.13 g/mol
Exact Mass269.04
IUPAC Name2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1c(F)cc(CC(N)CO)cc1Cl.Cl
InChIInChI=1S/C10H13ClFNO2.ClH/c1-15-10-8(11)3-6(4-9(10)12)2-7(13)5-14;/h3-4,7,14H,2,5,13H2,1H3;1H
InChIKeyDAEGIIZMIXNDIB-UHFFFAOYSA-N
XLogP1.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
5-(2-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170891858
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride (CID 170893643) is 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride is COc1c(F)cc(CC(N)CO)cc1Cl.Cl.
What is the InChIKey of 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is DAEGIIZMIXNDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2.ClH/c1-15-10-8(11)3-6(4-9(10)12)2-7(13)5-14;/h3-4,7,14H,2,5,13H2,1H3;1H.
What are the key properties of 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride?
2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 270.13 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).