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

C10H13ClFNO — CID 114488974

IUPAC1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-2-13-6-9(14)7-4-3-5-8(11)10(7)12/h3-5,9,13-14H,2,6H2,1H3
InChIKeyPNAHJRLPJKHIRE-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.12
Rot. Bonds4

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

1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol (PubChem CID 114488974) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol
PubChem CID114488974
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-2-13-6-9(14)7-4-3-5-8(11)10(7)12/h3-5,9,13-14H,2,6H2,1H3
InChIKeyPNAHJRLPJKHIRE-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol
CID 114488975
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 82937282
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
(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)-2-(2,6-difluorophenyl)ethanol
CID 81263148
3-(3-chloro-2-fluorophenyl)-3-hydroxypropanenitrile
CID 114489174
(1S,3S)-3-amino-1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237008
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79177729
4-(3-chloro-2-fluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 114488545

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol (CID 114488974) is 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol is CCNCC(O)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol?
The InChIKey is PNAHJRLPJKHIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-13-6-9(14)7-4-3-5-8(11)10(7)12/h3-5,9,13-14H,2,6H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol?
1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol has a molecular weight of 217.67 g/mol, XLogP of 2.12, 4 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-(ethylamino)ethanol is sourced from PubChem (CID 114488974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).