2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol

C12H16FNO2 — CID 79017552

IUPAC2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(O)CNC1CC1
InChIInChI=1S/C12H16FNO2/c1-16-12-5-2-8(13)6-10(12)11(15)7-14-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3
InChIKeyZDSDWEPAAAWUBX-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.62
Rot. Bonds5

About 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol

2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol (PubChem CID 79017552) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
PubChem CID79017552
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(O)CNC1CC1
InChIInChI=1S/C12H16FNO2/c1-16-12-5-2-8(13)6-10(12)11(15)7-14-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3
InChIKeyZDSDWEPAAAWUBX-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

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Related Compounds

1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 112518315
2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 78871610
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82770118
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
1-(2,5-difluorophenyl)-2-[(1,1-dioxothian-4-yl)amino]ethanol
CID 60910082
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol (CID 79017552) is 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol is COc1ccc(F)cc1C(O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is ZDSDWEPAAAWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-12-5-2-8(13)6-10(12)11(15)7-14-9-3-4-9/h2,5-6,9,11,14-15H,3-4,7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol?
2-(cyclopropylamino)-1-(5-fluoro-2-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)-1-(5-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 79017552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).