2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol

C13H18FNO2 — CID 64856319

IUPAC2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
SMILESCc1ccc(F)c(OCC(CO)NC2CC2)c1
InChIInChI=1S/C13H18FNO2/c1-9-2-5-12(14)13(6-9)17-8-11(7-16)15-10-3-4-10/h2,5-6,10-11,15-16H,3-4,7-8H2,1H3
InChIKeyCHFQCVVOGOTKQW-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.63
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol

2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol (PubChem CID 64856319) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
PubChem CID64856319
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
SMILESCc1ccc(F)c(OCC(CO)NC2CC2)c1
InChIInChI=1S/C13H18FNO2/c1-9-2-5-12(14)13(6-9)17-8-11(7-16)15-10-3-4-10/h2,5-6,10-11,15-16H,3-4,7-8H2,1H3
InChIKeyCHFQCVVOGOTKQW-UHFFFAOYSA-N
XLogP1.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
CID 64805124
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 64856039
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol (CID 64856319) is 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol is Cc1ccc(F)c(OCC(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol?
The InChIKey is CHFQCVVOGOTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-2-5-12(14)13(6-9)17-8-11(7-16)15-10-3-4-10/h2,5-6,10-11,15-16H,3-4,7-8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol?
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol is sourced from PubChem (CID 64856319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).