2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol

C15H22FNO2 — CID 114750572

IUPAC2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cccc(F)c1C(C)NCC1(CCO)CC1
InChIInChI=1S/C15H22FNO2/c1-11(17-10-15(6-7-15)8-9-18)14-12(16)4-3-5-13(14)19-2/h3-5,11,17-18H,6-10H2,1-2H3
InChIKeyCJRNWGPBMADRQO-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.65
Rot. Bonds7

About 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol

2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750572) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol
PubChem CID114750572
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cccc(F)c1C(C)NCC1(CCO)CC1
InChIInChI=1S/C15H22FNO2/c1-11(17-10-15(6-7-15)8-9-18)14-12(16)4-3-5-13(14)19-2/h3-5,11,17-18H,6-10H2,1-2H3
InChIKeyCJRNWGPBMADRQO-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903366
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol (CID 114750572) is 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol is COc1cccc(F)c1C(C)NCC1(CCO)CC1.
What is the InChIKey of 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol?
The InChIKey is CJRNWGPBMADRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(17-10-15(6-7-15)8-9-18)14-12(16)4-3-5-13(14)19-2/h3-5,11,17-18H,6-10H2,1-2H3.
What are the key properties of 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol?
2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).