3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol

C10H13ClFNO — CID 83690027

IUPAC3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-6(5-13)10(14)8-4-7(12)2-3-9(8)11/h2-4,6,10,14H,5,13H2,1H3
InChIKeyANGDBKSFIHGXQJ-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol

3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 83690027) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
PubChem CID83690027
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-6(5-13)10(14)8-4-7(12)2-3-9(8)11/h2-4,6,10,14H,5,13H2,1H3
InChIKeyANGDBKSFIHGXQJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
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1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
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1-(2-chloro-5-fluorophenyl)propan-1-ol
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1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
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CID 83819971
3-bromo-1-(2-chloro-5-fluorophenyl)propane-1,2-diol
CID 171859545
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
1-(2-chloro-5-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889780
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol (CID 83690027) is 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol is CC(CN)C(O)c1cc(F)ccc1Cl.
What is the InChIKey of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is ANGDBKSFIHGXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6(5-13)10(14)8-4-7(12)2-3-9(8)11/h2-4,6,10,14H,5,13H2,1H3.
What are the key properties of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 83690027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).