2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol

C12H17ClFNO — CID 105396214

IUPAC2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(2)15-7-12(3,16)10-6-9(14)4-5-11(10)13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyIGDUZJXOSLAZRP-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol

2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 105396214) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID105396214
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(2)15-7-12(3,16)10-6-9(14)4-5-11(10)13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyIGDUZJXOSLAZRP-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 82973890
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
CID 105393954
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
1-(4-chloro-2-fluorophenyl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 114861726
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol (CID 105396214) is 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is IGDUZJXOSLAZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(2)15-7-12(3,16)10-6-9(14)4-5-11(10)13/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 245.72 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 105396214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).