2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol

C11H14FNO — CID 61055012

IUPAC2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
SMILESOCC(NC1CC1)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)11(7-14)13-10-4-5-10/h1-3,6,10-11,13-14H,4-5,7H2
InChIKeyQAKSERRMHYARCS-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.61
Rot. Bonds4

About 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol

2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol (PubChem CID 61055012) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
PubChem CID61055012
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
SMILESOCC(NC1CC1)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)11(7-14)13-10-4-5-10/h1-3,6,10-11,13-14H,4-5,7H2
InChIKeyQAKSERRMHYARCS-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384
N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide
CID 142183569
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
2-(cyclopropylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82289327
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol (CID 61055012) is 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol is OCC(NC1CC1)c1cccc(F)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol?
The InChIKey is QAKSERRMHYARCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)11(7-14)13-10-4-5-10/h1-3,6,10-11,13-14H,4-5,7H2.
What are the key properties of 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol?
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol has a molecular weight of 195.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 61055012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).