1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol

C12H17ClFNO — CID 104922106

IUPAC1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(2)6-15-7-12(16)10-4-3-9(14)5-11(10)13/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyDDYHBWAYZVOVFR-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol

1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 104922106) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
PubChem CID104922106
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(2)6-15-7-12(16)10-4-3-9(14)5-11(10)13/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyDDYHBWAYZVOVFR-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
4-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665030
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
[1-(2-chloro-4-fluorophenyl)-4-methylpentyl]hydrazine
CID 105215256
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 63411155

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol (CID 104922106) is 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol is CC(C)CNCC(O)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is DDYHBWAYZVOVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(2)6-15-7-12(16)10-4-3-9(14)5-11(10)13/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol?
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol has a molecular weight of 245.72 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 104922106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).