1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol

C15H23BrClNO — CID 82781584

IUPAC1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
SMILESCCCCN(CC)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClNO/c1-3-5-9-18(4-2)10-8-15(19)13-7-6-12(16)11-14(13)17/h6-7,11,15,19H,3-5,8-10H2,1-2H3
InChIKeyPQYGZYVSDAQCFQ-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.65
Rot. Bonds8

About 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol (PubChem CID 82781584) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
PubChem CID82781584
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
SMILESCCCCN(CC)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClNO/c1-3-5-9-18(4-2)10-8-15(19)13-7-6-12(16)11-14(13)17/h6-7,11,15,19H,3-5,8-10H2,1-2H3
InChIKeyPQYGZYVSDAQCFQ-UHFFFAOYSA-N
XLogP4.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 82073915
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
CID 102997275
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
CID 82781389
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol (CID 82781584) is 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol is CCCCN(CC)CCC(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
The InChIKey is PQYGZYVSDAQCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNO/c1-3-5-9-18(4-2)10-8-15(19)13-7-6-12(16)11-14(13)17/h6-7,11,15,19H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol has a molecular weight of 348.71 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 82781584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).