2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol

C17H21FN2O — CID 115377997

IUPAC2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)cc2)cc1N(C)C
InChIInChI=1S/C17H21FN2O/c1-12-4-9-15(10-16(12)20(2)3)19-11-17(21)13-5-7-14(18)8-6-13/h4-10,17,19,21H,11H2,1-3H3
InChIKeyDUASVZUMXOTHFQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.35
Rot. Bonds5

About 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol

2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol (PubChem CID 115377997) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
PubChem CID115377997
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)cc2)cc1N(C)C
InChIInChI=1S/C17H21FN2O/c1-12-4-9-15(10-16(12)20(2)3)19-11-17(21)13-5-7-14(18)8-6-13/h4-10,17,19,21H,11H2,1-3H3
InChIKeyDUASVZUMXOTHFQ-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol
CID 66349964
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376832
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol (CID 115377997) is 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol is Cc1ccc(NCC(O)c2ccc(F)cc2)cc1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol?
The InChIKey is DUASVZUMXOTHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-4-9-15(10-16(12)20(2)3)19-11-17(21)13-5-7-14(18)8-6-13/h4-10,17,19,21H,11H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol?
2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol has a molecular weight of 288.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 115377997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).