1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol

C11H15ClFNO — CID 114488975

IUPAC1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-2-6-14-7-10(15)8-4-3-5-9(12)11(8)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyIUWOPIROFAOTBJ-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.51
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol

1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol (PubChem CID 114488975) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol
PubChem CID114488975
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-2-6-14-7-10(15)8-4-3-5-9(12)11(8)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyIUWOPIROFAOTBJ-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.51
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

1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol
CID 114488974
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177951
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
[3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254848

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol (CID 114488975) is 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol is CCCNCC(O)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol?
The InChIKey is IUWOPIROFAOTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-6-14-7-10(15)8-4-3-5-9(12)11(8)13/h3-5,10,14-15H,2,6-7H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol?
1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol has a molecular weight of 231.70 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 114488975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).