3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol

C12H15ClFNO — CID 65186484

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)C1CC1
InChIInChI=1S/C12H15ClFNO/c13-9-2-1-3-10(14)11(9)8(6-15)12(16)7-4-5-7/h1-3,7-8,12,16H,4-6,15H2
InChIKeyMFANFLQNRXLLBD-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.29
Rot. Bonds4

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol (PubChem CID 65186484) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
PubChem CID65186484
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)C1CC1
InChIInChI=1S/C12H15ClFNO/c13-9-2-1-3-10(14)11(9)8(6-15)12(16)7-4-5-7/h1-3,7-8,12,16H,4-6,15H2
InChIKeyMFANFLQNRXLLBD-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185077
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol
CID 65186189
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65184515
3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117358615
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
CID 65186284
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol (CID 65186484) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol is NCC(c1c(F)cccc1Cl)C(O)C1CC1.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol?
The InChIKey is MFANFLQNRXLLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-9-2-1-3-10(14)11(9)8(6-15)12(16)7-4-5-7/h1-3,7-8,12,16H,4-6,15H2.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol has a molecular weight of 243.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol is sourced from PubChem (CID 65186484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).