2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol

C16H18FNO — CID 62122602

IUPAC2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NC(CO)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C16H18FNO/c1-11-3-6-14(7-4-11)18-16(10-19)13-5-8-15(17)12(2)9-13/h3-9,16,18-19H,10H2,1-2H3
InChIKeyFNTRBZNDZAWFPT-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol

2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol (PubChem CID 62122602) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
PubChem CID62122602
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NC(CO)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C16H18FNO/c1-11-3-6-14(7-4-11)18-16(10-19)13-5-8-15(17)12(2)9-13/h3-9,16,18-19H,10H2,1-2H3
InChIKeyFNTRBZNDZAWFPT-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 79050588
2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 81440633
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
CID 61048365

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol (CID 62122602) is 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol is Cc1ccc(NC(CO)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol?
The InChIKey is FNTRBZNDZAWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-3-6-14(7-4-11)18-16(10-19)13-5-8-15(17)12(2)9-13/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol?
2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol has a molecular weight of 259.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol is sourced from PubChem (CID 62122602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).