3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol

C16H26ClNO2 — CID 82073915

IUPAC3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol
SMILESCCCCN(CC)CCC(O)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO2/c1-4-6-10-18(5-2)11-9-15(19)14-12-13(17)7-8-16(14)20-3/h7-8,12,15,19H,4-6,9-11H2,1-3H3
InChIKeyZGKYBSSWILHZME-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.89
Rot. Bonds9

About 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol

3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol (PubChem CID 82073915) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol
PubChem CID82073915
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol
SMILESCCCCN(CC)CCC(O)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO2/c1-4-6-10-18(5-2)11-9-15(19)14-12-13(17)7-8-16(14)20-3/h7-8,12,15,19H,4-6,9-11H2,1-3H3
InChIKeyZGKYBSSWILHZME-UHFFFAOYSA-N
XLogP3.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol 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

(1R)-1-(5-chloro-2-methoxyphenyl)-2-(dioctylamino)ethanol
CID 98529562
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
1-(5-chloro-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 115780241
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 115790708
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
CID 102997275
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
CID 65190622
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol (CID 82073915) is 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol is CCCCN(CC)CCC(O)c1cc(Cl)ccc1OC.
What is the InChIKey of 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
The InChIKey is ZGKYBSSWILHZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-4-6-10-18(5-2)11-9-15(19)14-12-13(17)7-8-16(14)20-3/h7-8,12,15,19H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol has a molecular weight of 299.84 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 82073915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).