2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol

C10H13ClFNO — CID 117310399

IUPAC2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
SMILESCCc1cc(C(N)CO)cc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-2-6-3-7(9(13)5-14)4-8(11)10(6)12/h3-4,9,14H,2,5,13H2,1H3
InChIKeyOPKLCFWSWFPBJC-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol

2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol (PubChem CID 117310399) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
PubChem CID117310399
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
SMILESCCc1cc(C(N)CO)cc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-2-6-3-7(9(13)5-14)4-8(11)10(6)12/h3-4,9,14H,2,5,13H2,1H3
InChIKeyOPKLCFWSWFPBJC-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
CID 117331573
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420
3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117429853
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
CID 117324265
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117372574
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol (CID 117310399) is 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol is CCc1cc(C(N)CO)cc(Cl)c1F.
What is the InChIKey of 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol?
The InChIKey is OPKLCFWSWFPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-6-3-7(9(13)5-14)4-8(11)10(6)12/h3-4,9,14H,2,5,13H2,1H3.
What are the key properties of 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol?
2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol has a molecular weight of 217.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol is sourced from PubChem (CID 117310399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).