1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol

C12H18FNO — CID 62772558

IUPAC1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C12H18FNO/c1-3-6-14-8-12(15)10-4-5-11(13)9(2)7-10/h4-5,7,12,14-15H,3,6,8H2,1-2H3
InChIKeyQGWSKBWPYTVMOL-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.17
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol

1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol (PubChem CID 62772558) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
PubChem CID62772558
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C12H18FNO/c1-3-6-14-8-12(15)10-4-5-11(13)9(2)7-10/h4-5,7,12,14-15H,3,6,8H2,1-2H3
InChIKeyQGWSKBWPYTVMOL-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
3-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 81018563
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(4-fluoro-3-methylphenyl)-2-(2-methylanilino)ethanol
CID 82121205
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
1-(3-bromo-4-fluorophenyl)-2-(ethylamino)ethanol
CID 62774882
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethanol
CID 81160048
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol (CID 62772558) is 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol is CCCNCC(O)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol?
The InChIKey is QGWSKBWPYTVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-6-14-8-12(15)10-4-5-11(13)9(2)7-10/h4-5,7,12,14-15H,3,6,8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol?
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol has a molecular weight of 211.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 62772558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).