2-(3-fluorophenyl)-2-(2-methylanilino)ethanol

C15H16FNO — CID 61047365

IUPAC2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-11-5-2-3-8-14(11)17-15(10-18)12-6-4-7-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyXTVUHWOXIFWJOY-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.28
Rot. Bonds4

About 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol

2-(3-fluorophenyl)-2-(2-methylanilino)ethanol (PubChem CID 61047365) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
PubChem CID61047365
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-11-5-2-3-8-14(11)17-15(10-18)12-6-4-7-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyXTVUHWOXIFWJOY-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
CID 61047518
(2R)-2-(3-fluorophenyl)-2-(2-phenylethylamino)ethanol
CID 124885583
2-(2-methylanilino)-2-naphthalen-1-ylethanol
CID 61047528
N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide
CID 142183569
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol
CID 62500445
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol?
The IUPAC name of 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol (CID 61047365) is 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol is Cc1ccccc1NC(CO)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol?
The InChIKey is XTVUHWOXIFWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-5-2-3-8-14(11)17-15(10-18)12-6-4-7-13(16)9-12/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol?
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol has a molecular weight of 245.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(2-methylanilino)ethanol is sourced from PubChem (CID 61047365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).