(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol

C16H18FNO2 — CID 78940821

IUPAC(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol
SMILESCOc1ccccc1N(C)c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C16H18FNO2/c1-11(19)12-8-9-14(13(17)10-12)18(2)15-6-4-5-7-16(15)20-3/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeyCQCSXQAQPUPVGS-NSHDSACASA-N
MW275.32 g/mol
LogP3.66
Rot. Bonds4

About (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol

(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol (PubChem CID 78940821) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol
PubChem CID78940821
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol
SMILESCOc1ccccc1N(C)c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C16H18FNO2/c1-11(19)12-8-9-14(13(17)10-12)18(2)15-6-4-5-7-16(15)20-3/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeyCQCSXQAQPUPVGS-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

1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 62911327
(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 63371058
(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol
CID 78940866
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
(1S)-1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 78939739
1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 61417600
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol (CID 78940821) is (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol is COc1ccccc1N(C)c1ccc([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
The InChIKey is CQCSXQAQPUPVGS-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(19)12-8-9-14(13(17)10-12)18(2)15-6-4-5-7-16(15)20-3/h4-11,19H,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol?
(1S)-1-[3-fluoro-4-(2-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-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 78940821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).