1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol

C10H13ClFNO — CID 103039133

IUPAC1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-10(14,6-13)5-7-2-3-9(12)8(11)4-7/h2-4,14H,5-6,13H2,1H3
InChIKeyNWUCZUFRRGUOAL-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.73
Rot. Bonds3

About 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol

1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 103039133) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
PubChem CID103039133
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-10(14,6-13)5-7-2-3-9(12)8(11)4-7/h2-4,14H,5-6,13H2,1H3
InChIKeyNWUCZUFRRGUOAL-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 103039245
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
4-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 82471704
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131945
N'-[(3-chloro-4-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 81155297
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol (CID 103039133) is 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol is CC(O)(CN)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is NWUCZUFRRGUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(14,6-13)5-7-2-3-9(12)8(11)4-7/h2-4,14H,5-6,13H2,1H3.
What are the key properties of 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol?
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 217.67 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 103039133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).