2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol

C12H17ClFNO — CID 61054951

IUPAC2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(2)6-15-11(7-16)12-9(13)4-3-5-10(12)14/h3-5,8,11,15-16H,6-7H2,1-2H3
InChIKeyXGNMCASGTRUSQX-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.76
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol

2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 61054951) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
PubChem CID61054951
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-8(2)6-15-11(7-16)12-9(13)4-3-5-10(12)14/h3-5,8,11,15-16H,6-7H2,1-2H3
InChIKeyXGNMCASGTRUSQX-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-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054534
2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 114488494
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054751
2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
CID 113484777
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol
CID 65377412
2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61055745
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201
1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol
CID 115704208

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol (CID 61054951) is 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol is CC(C)CNC(CO)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is XGNMCASGTRUSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(2)6-15-11(7-16)12-9(13)4-3-5-10(12)14/h3-5,8,11,15-16H,6-7H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol?
2-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 61054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).