1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol

C17H25Cl2NO2 — CID 2918179

IUPAC1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESCCN(CC(O)COc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H25Cl2NO2/c1-2-20(14-6-4-3-5-7-14)11-15(21)12-22-17-9-8-13(18)10-16(17)19/h8-10,14-15,21H,2-7,11-12H2,1H3
InChIKeyTZDKZTJKHMUBFV-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.39
Rot. Bonds7

About 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol

1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol (PubChem CID 2918179) has the molecular formula C17H25Cl2NO2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
PubChem CID2918179
Molecular FormulaC17H25Cl2NO2
Molecular Weight346.30 g/mol
Exact Mass345.13
IUPAC Name1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESCCN(CC(O)COc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H25Cl2NO2/c1-2-20(14-6-4-3-5-7-14)11-15(21)12-22-17-9-8-13(18)10-16(17)19/h8-10,14-15,21H,2-7,11-12H2,1H3
InChIKeyTZDKZTJKHMUBFV-UHFFFAOYSA-N
XLogP4.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol (CID 2918179) is 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol is CCN(CC(O)COc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
The InChIKey is TZDKZTJKHMUBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO2/c1-2-20(14-6-4-3-5-7-14)11-15(21)12-22-17-9-8-13(18)10-16(17)19/h8-10,14-15,21H,2-7,11-12H2,1H3.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol has a molecular weight of 346.30 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 2918179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).