(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol

C16H18FNO2 — CID 78940852

IUPAC(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
SMILESCOc1ccc(N(C)c2ccc(F)cc2[C@H](C)O)cc1
InChIInChI=1S/C16H18FNO2/c1-11(19)15-10-12(17)4-9-16(15)18(2)13-5-7-14(20-3)8-6-13/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeyWJALPGFTRPUDQG-NSHDSACASA-N
MW275.32 g/mol
LogP3.66
Rot. Bonds4

About (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol

(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol (PubChem CID 78940852) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
PubChem CID78940852
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
SMILESCOc1ccc(N(C)c2ccc(F)cc2[C@H](C)O)cc1
InChIInChI=1S/C16H18FNO2/c1-11(19)15-10-12(17)4-9-16(15)18(2)13-5-7-14(20-3)8-6-13/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeyWJALPGFTRPUDQG-NSHDSACASA-N
XLogP3.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
CID 63368936
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55184502
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol (CID 78940852) is (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol is COc1ccc(N(C)c2ccc(F)cc2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol?
The InChIKey is WJALPGFTRPUDQG-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(19)15-10-12(17)4-9-16(15)18(2)13-5-7-14(20-3)8-6-13/h4-11,19H,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol has a molecular weight of 275.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 78940852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).