2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol

C12H17ClFNO — CID 114488494

IUPAC2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-8(2)6-15-11(7-16)9-4-3-5-10(13)12(9)14/h3-5,8,11,15-16H,6-7H2,1-2H3
InChIKeyTXRLGTHMNJWYPA-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.76
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol

2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 114488494) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
PubChem CID114488494
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-8(2)6-15-11(7-16)9-4-3-5-10(13)12(9)14/h3-5,8,11,15-16H,6-7H2,1-2H3
InChIKeyTXRLGTHMNJWYPA-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

2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054751
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488475
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
N-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 172524574
2-(2-ethylphenyl)-2-(2-methylpropylamino)ethanol
CID 62415875
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol (CID 114488494) is 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol is CC(C)CNC(CO)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is TXRLGTHMNJWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(2)6-15-11(7-16)9-4-3-5-10(13)12(9)14/h3-5,8,11,15-16H,6-7H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol?
2-(3-chloro-2-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 2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 114488494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).