2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol

C12H15F2NO — CID 115525129

IUPAC2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
SMILESOCC(NC1CC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H15F2NO/c13-12(14)9-3-1-8(2-4-9)11(7-16)15-10-5-6-10/h1-4,10-12,15-16H,5-7H2
InChIKeyYWVPCSFLLWTEMW-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.41
Rot. Bonds5

About 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol

2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol (PubChem CID 115525129) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
PubChem CID115525129
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
SMILESOCC(NC1CC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H15F2NO/c13-12(14)9-3-1-8(2-4-9)11(7-16)15-10-5-6-10/h1-4,10-12,15-16H,5-7H2
InChIKeyYWVPCSFLLWTEMW-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
4-[1-(cyclopentylamino)-2-hydroxyethyl]phenol
CID 61056997
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
2-(cyclopropylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82289327
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 61055172
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
tert-butyl 4-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 54485837

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol (CID 115525129) is 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol is OCC(NC1CC1)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol?
The InChIKey is YWVPCSFLLWTEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)9-3-1-8(2-4-9)11(7-16)15-10-5-6-10/h1-4,10-12,15-16H,5-7H2.
What are the key properties of 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol?
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol has a molecular weight of 227.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115525129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).