2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol

C14H21Cl2NO — CID 82215902

IUPAC2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
SMILESCCCCN(CC)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-5-8-17(4-2)10-14(18)12-7-6-11(15)9-13(12)16/h6-7,9,14,18H,3-5,8,10H2,1-2H3
InChIKeyPKVSHBCPTJHJAJ-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.15
Rot. Bonds7

About 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol

2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol (PubChem CID 82215902) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
PubChem CID82215902
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
SMILESCCCCN(CC)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-5-8-17(4-2)10-14(18)12-7-6-11(15)9-13(12)16/h6-7,9,14,18H,3-5,8,10H2,1-2H3
InChIKeyPKVSHBCPTJHJAJ-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
CID 62264739
(1R)-1-(5-chloro-2-methoxyphenyl)-2-(dioctylamino)ethanol
CID 98529562
3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 82073915
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
1-[3-chloro-6-(trifluoromethyl)phenanthren-9-yl]-2-(dibutylamino)ethanol
CID 90668912
1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol
CID 90669659
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313293

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol (CID 82215902) is 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol is CCCCN(CC)CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is PKVSHBCPTJHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-5-8-17(4-2)10-14(18)12-7-6-11(15)9-13(12)16/h6-7,9,14,18H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol?
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 290.23 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 82215902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).