2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol

C13H19ClFNO2 — CID 103935786

IUPAC2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H19ClFNO2/c1-3-13(7-17,8-18)16-9(2)10-4-5-11(14)12(15)6-10/h4-6,9,16-18H,3,7-8H2,1-2H3
InChIKeyXQKBYFXMUZSFFY-UHFFFAOYSA-N
MW275.75 g/mol
LogP2.26
Rot. Bonds6

About 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol

2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol (PubChem CID 103935786) has the molecular formula C13H19ClFNO2 and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
PubChem CID103935786
Molecular FormulaC13H19ClFNO2
Molecular Weight275.75 g/mol
Exact Mass275.11
IUPAC Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H19ClFNO2/c1-3-13(7-17,8-18)16-9(2)10-4-5-11(14)12(15)6-10/h4-6,9,16-18H,3,7-8H2,1-2H3
InChIKeyXQKBYFXMUZSFFY-UHFFFAOYSA-N
XLogP2.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
CID 103935636
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 103935669
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
2-[1-(4-bromophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 113354722
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 115879368
1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
CID 83069552
2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 62517490
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol (CID 103935786) is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol?
The InChIKey is XQKBYFXMUZSFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO2/c1-3-13(7-17,8-18)16-9(2)10-4-5-11(14)12(15)6-10/h4-6,9,16-18H,3,7-8H2,1-2H3.
What are the key properties of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol?
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol has a molecular weight of 275.75 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 103935786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).