2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol

C12H16FNO2 — CID 65101361

IUPAC2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)NC2CC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-16-12-5-2-8(6-10(12)13)11(7-15)14-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3
InChIKeyFUFBHSQDBGCPJL-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.62
Rot. Bonds5

About 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol

2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 65101361) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID65101361
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)NC2CC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-16-12-5-2-8(6-10(12)13)11(7-15)14-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3
InChIKeyFUFBHSQDBGCPJL-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544711
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide
CID 163636130
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
CID 112512979
[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360364
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol (CID 65101361) is 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(CO)NC2CC2)cc1F.
What is the InChIKey of 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is FUFBHSQDBGCPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-12-5-2-8(6-10(12)13)11(7-15)14-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol?
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 225.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 65101361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).