1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol

C16H20FNO2 — CID 111564990

IUPAC1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
SMILESCc1cc(F)ccc1C(O)CN(C)Cc1ccoc1C
InChIInChI=1S/C16H20FNO2/c1-11-8-14(17)4-5-15(11)16(19)10-18(3)9-13-6-7-20-12(13)2/h4-8,16,19H,9-10H2,1-3H3
InChIKeyFSBYMNUTOURPIK-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol

1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol (PubChem CID 111564990) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
PubChem CID111564990
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
SMILESCc1cc(F)ccc1C(O)CN(C)Cc1ccoc1C
InChIInChI=1S/C16H20FNO2/c1-11-8-14(17)4-5-15(11)16(19)10-18(3)9-13-6-7-20-12(13)2/h4-8,16,19H,9-10H2,1-3H3
InChIKeyFSBYMNUTOURPIK-UHFFFAOYSA-N
XLogP3.20
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111757482
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzoic acid
CID 107907810
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzenecarbothioamide
CID 64765230
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110009988
4-[1-hydroxy-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]benzenecarbothioamide
CID 61426534
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol (CID 111564990) is 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol is Cc1cc(F)ccc1C(O)CN(C)Cc1ccoc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
The InChIKey is FSBYMNUTOURPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-11-8-14(17)4-5-15(11)16(19)10-18(3)9-13-6-7-20-12(13)2/h4-8,16,19H,9-10H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol has a molecular weight of 277.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 111564990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).