1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol

C10H15FN2O — CID 13355738

IUPAC1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O/c1-2-13-6-10(14)7-3-4-9(12)8(11)5-7/h3-5,10,13-14H,2,6,12H2,1H3
InChIKeySBLNJJOSCNWSPU-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.05
Rot. Bonds4

About 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol

1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol (PubChem CID 13355738) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol
PubChem CID13355738
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O/c1-2-13-6-10(14)7-3-4-9(12)8(11)5-7/h3-5,10,13-14H,2,6,12H2,1H3
InChIKeySBLNJJOSCNWSPU-UHFFFAOYSA-N
XLogP1.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-bromophenyl)-2-(ethylamino)ethanol
CID 154088498
1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 13355733
1-(3-bromo-4-fluorophenyl)-2-(ethylamino)ethanol
CID 62774882
1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethanol
CID 81160048
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
CID 115582033
2-fluoro-4-[(1S)-1-(2-methylpropylamino)ethyl]aniline
CID 28964039
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
2-(4-amino-3-fluorophenyl)butanoic acid
CID 67087857

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol?
The IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol (CID 13355738) is 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol is CCNCC(O)c1ccc(N)c(F)c1.
What is the InChIKey of 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol?
The InChIKey is SBLNJJOSCNWSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-2-13-6-10(14)7-3-4-9(12)8(11)5-7/h3-5,10,13-14H,2,6,12H2,1H3.
What are the key properties of 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol?
1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol has a molecular weight of 198.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 13355738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).