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

C17H26Cl3NO2 — CID 2918178

IUPAC1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
SMILESCCN(CC(O)COc1ccc(Cl)cc1Cl)C1CCCCC1.Cl
InChIInChI=1S/C17H25Cl2NO2.ClH/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;1H
InChIKeyIBBORXCUICDASC-UHFFFAOYSA-N
MW382.76 g/mol
LogP4.81
Rot. Bonds7

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

1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride (PubChem CID 2918178) has the molecular formula C17H26Cl3NO2 and a molecular weight of 382.76 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
PubChem CID2918178
Molecular FormulaC17H26Cl3NO2
Molecular Weight382.76 g/mol
Exact Mass381.10
IUPAC Name1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
SMILESCCN(CC(O)COc1ccc(Cl)cc1Cl)C1CCCCC1.Cl
InChIInChI=1S/C17H25Cl2NO2.ClH/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;1H
InChIKeyIBBORXCUICDASC-UHFFFAOYSA-N
XLogP4.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.76
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-D-tris(2-hydroxypropyl)ammonium
CID 62724
1-(Piperidin-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 2914648
1-[3-(2,4-Dichloro-phenoxy)-propyl]-1,2,3,6-tetrahydro-pyridine
CID 15521042
1-(2-(4-Chlorophenoxy)ethoxy)-3-(isopropylamino)propan-2-ol hydrochloride
CID 2843901
1-(2,4-Dichlorophenoxy)-3-[(1,1,3,3-tetramethylbutyl)amino]-2-propanol hydrochloride
CID 2918568
1-[2-(2,4-Dichlorophenoxy)ethyl]piperidine oxalate
CID 2847926
1-(4-Chlorophenoxy)-3-(2,6-dimethyl-1-piperidinyl)-2-propanol
CID 2853529
1-(2-Chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 2885681
4-[2-(2,4-Dichlorophenoxy)ethyl]-2,6-dimethylmorpholine oxalate
CID 2934808
1-Methylpiperidin-4-YL 2-(2,4-dichlorophenoxy)acetate hydrochloride
CID 2948699
1-(4-Chlorophenoxy)-3-(4-ethyl-1-piperazinyl)-2-propanol dihydrochloride
CID 9550255
N-[3-(2,4-dichlorophenoxy)propyl]-N-methylbuta-2,3-dien-1-amine
CID 44265560

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride (CID 2918178) is 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride is CCN(CC(O)COc1ccc(Cl)cc1Cl)C1CCCCC1.Cl.
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
The InChIKey is IBBORXCUICDASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO2.ClH/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;1H.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
1-[cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride has a molecular weight of 382.76 g/mol, XLogP of 4.81, 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;hydrochloride is sourced from PubChem (CID 2918178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).