2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol

C10H13ClFNO — CID 116859296

IUPAC2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(CC(N)CO)cc1F
InChIInChI=1S/C10H13ClFNO/c1-6-2-9(11)7(4-10(6)12)3-8(13)5-14/h2,4,8,14H,3,5,13H2,1H3
InChIKeySMEIAPHNNCCMDQ-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol

2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol (PubChem CID 116859296) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol
PubChem CID116859296
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(CC(N)CO)cc1F
InChIInChI=1S/C10H13ClFNO/c1-6-2-9(11)7(4-10(6)12)3-8(13)5-14/h2,4,8,14H,3,5,13H2,1H3
InChIKeySMEIAPHNNCCMDQ-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-(3-chlorophenyl)propan-1-ol
CID 5238060
beta-Amino-4-chlorobenzenepropanol
CID 548289
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CID 14853286
3-Amino-3-(2-chlorophenyl)propan-1-ol
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2-Amino-2-(3-chloro-4-fluorophenyl)ethan-1-ol hydrochloride
CID 45037032
3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 62387669
2-Amino-2-(3-chloro-2-fluorophenyl)ethan-1-ol hydrochloride
CID 66672126
(2R)-2-amino-2-(3-chlorophenyl)ethan-1-ol hydrochloride
CID 66672135
2-Amino-2-(2-chlorophenyl)ethan-1-ol hydrochloride
CID 67033543
(S)-2-amino-2-(3-chlorophenyl)ethanol hydrochloride
CID 67034221
(2R)-2-amino-3-(2-chlorophenyl)propan-1-ol;hydrochloride
CID 118340479
(s)-3-(3-Chlorophenyl)-beta-alaninol
CID 7096764

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol (CID 116859296) is 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol is Cc1cc(Cl)c(CC(N)CO)cc1F.
What is the InChIKey of 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol?
The InChIKey is SMEIAPHNNCCMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6-2-9(11)7(4-10(6)12)3-8(13)5-14/h2,4,8,14H,3,5,13H2,1H3.
What are the key properties of 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol?
2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 116859296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).