2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol

C15H24ClNO3 — CID 62517973

IUPAC2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCC(O)COc1ccccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-3-15(4-2,11-18)17-9-12(19)10-20-14-8-6-5-7-13(14)16/h5-8,12,17-19H,3-4,9-11H2,1-2H3
InChIKeyCAFQCTKYRXGYDI-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.22
Rot. Bonds9

About 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol

2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol (PubChem CID 62517973) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
PubChem CID62517973
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCC(O)COc1ccccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-3-15(4-2,11-18)17-9-12(19)10-20-14-8-6-5-7-13(14)16/h5-8,12,17-19H,3-4,9-11H2,1-2H3
InChIKeyCAFQCTKYRXGYDI-UHFFFAOYSA-N
XLogP2.22
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol with MolForge

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Related Compounds

2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
2-[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-ethylpropane-1,3-diol
CID 103601368
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147203
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol (CID 62517973) is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCC(O)COc1ccccc1Cl.
What is the InChIKey of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
The InChIKey is CAFQCTKYRXGYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-3-15(4-2,11-18)17-9-12(19)10-20-14-8-6-5-7-13(14)16/h5-8,12,17-19H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol has a molecular weight of 301.81 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62517973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).