1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol

C12H15ClFNO — CID 103051132

IUPAC1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFNO/c13-9-1-4-12(14)8(5-9)6-11(16)7-15-10-2-3-10/h1,4-5,10-11,15-16H,2-3,6-7H2
InChIKeyBJENPEZTFJOQHM-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.13
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol

1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol (PubChem CID 103051132) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol
PubChem CID103051132
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFNO/c13-9-1-4-12(14)8(5-9)6-11(16)7-15-10-2-3-10/h1,4-5,10-11,15-16H,2-3,6-7H2
InChIKeyBJENPEZTFJOQHM-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 112518315
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
CID 103053467
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392
1-[(4-chlorophenyl)methylsulfanyl]-3-(cyclopropylamino)propan-2-ol
CID 114790542

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol (CID 103051132) is 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol?
The InChIKey is BJENPEZTFJOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-9-1-4-12(14)8(5-9)6-11(16)7-15-10-2-3-10/h1,4-5,10-11,15-16H,2-3,6-7H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol?
1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol has a molecular weight of 243.71 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 103051132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).