2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol

C16H27BrN2O2 — CID 62618754

IUPAC2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNC(CCN(CCO)CCO)c1ccc(Br)cc1
InChIInChI=1S/C16H27BrN2O2/c1-2-8-18-16(14-3-5-15(17)6-4-14)7-9-19(10-12-20)11-13-21/h3-6,16,18,20-21H,2,7-13H2,1H3
InChIKeyGOQNKTGEZAFXBG-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.17
Rot. Bonds11

About 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol

2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 62618754) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID62618754
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC Name2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNC(CCN(CCO)CCO)c1ccc(Br)cc1
InChIInChI=1S/C16H27BrN2O2/c1-2-8-18-16(14-3-5-15(17)6-4-14)7-9-19(10-12-20)11-13-21/h3-6,16,18,20-21H,2,7-13H2,1H3
InChIKeyGOQNKTGEZAFXBG-UHFFFAOYSA-N
XLogP2.17
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 63493931
1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
1-(4-bromophenyl)-N'-methyl-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987438
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-(4-bromophenyl)-N'-methyl-N-propyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 62619770
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
CID 102871015

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol (CID 62618754) is 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol is CCCNC(CCN(CCO)CCO)c1ccc(Br)cc1.
What is the InChIKey of 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GOQNKTGEZAFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-2-8-18-16(14-3-5-15(17)6-4-14)7-9-19(10-12-20)11-13-21/h3-6,16,18,20-21H,2,7-13H2,1H3.
What are the key properties of 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 359.31 g/mol, XLogP of 2.17, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62618754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).