2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol

C13H18FNO2 — CID 60510272

IUPAC2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(F)cc1CN(CCO)C1CC1
InChIInChI=1S/C13H18FNO2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9H2,1H3
InChIKeyIZLOJVQFGQPLMM-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.79
Rot. Bonds6

About 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol

2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol (PubChem CID 60510272) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
PubChem CID60510272
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(F)cc1CN(CCO)C1CC1
InChIInChI=1S/C13H18FNO2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9H2,1H3
InChIKeyIZLOJVQFGQPLMM-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
3-[3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 102869818
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol (CID 60510272) is 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol is COc1ccc(F)cc1CN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is IZLOJVQFGQPLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-13-5-2-11(14)8-10(13)9-15(6-7-16)12-3-4-12/h2,5,8,12,16H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol?
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 239.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 60510272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).