(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol

C14H20FNO — CID 113498682

IUPAC(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol
SMILESC=C(C)CN(C)c1cc(C)c(F)cc1[C@H](C)O
InChIInChI=1S/C14H20FNO/c1-9(2)8-16(5)14-6-10(3)13(15)7-12(14)11(4)17/h6-7,11,17H,1,8H2,2-5H3/t11-/m0/s1
InChIKeyFSOPNDVGHJCSOJ-NSHDSACASA-N
MW237.32 g/mol
LogP3.20
Rot. Bonds4

About (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol

(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol (PubChem CID 113498682) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol
PubChem CID113498682
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol
SMILESC=C(C)CN(C)c1cc(C)c(F)cc1[C@H](C)O
InChIInChI=1S/C14H20FNO/c1-9(2)8-16(5)14-6-10(3)13(15)7-12(14)11(4)17/h6-7,11,17H,1,8H2,2-5H3/t11-/m0/s1
InChIKeyFSOPNDVGHJCSOJ-NSHDSACASA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699
(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
CID 104873578
4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
CID 104985520
1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
CID 107481059
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
CID 78939401
N,N-diethyl-2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 63371189
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-pent-4-enylaniline
CID 104869696
2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
CID 103590283
2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 113426082
4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 103589931
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol (CID 113498682) is (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol is C=C(C)CN(C)c1cc(C)c(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol?
The InChIKey is FSOPNDVGHJCSOJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)8-16(5)14-6-10(3)13(15)7-12(14)11(4)17/h6-7,11,17H,1,8H2,2-5H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol?
(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol is sourced from PubChem (CID 113498682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).