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

C13H21BrN2O — CID 62619789

IUPAC2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-2-16(9-10-17)8-7-13(15)11-3-5-12(14)6-4-11/h3-6,13,17H,2,7-10,15H2,1H3
InChIKeyNQEHEYOVHPOKLB-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.15
Rot. Bonds7

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

2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol (PubChem CID 62619789) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
PubChem CID62619789
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-2-16(9-10-17)8-7-13(15)11-3-5-12(14)6-4-11/h3-6,13,17H,2,7-10,15H2,1H3
InChIKeyNQEHEYOVHPOKLB-UHFFFAOYSA-N
XLogP2.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
CID 114059481
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol (CID 62619789) is 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol is CCN(CCO)CCC(N)c1ccc(Br)cc1.
What is the InChIKey of 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol?
The InChIKey is NQEHEYOVHPOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-2-16(9-10-17)8-7-13(15)11-3-5-12(14)6-4-11/h3-6,13,17H,2,7-10,15H2,1H3.
What are the key properties of 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol?
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol has a molecular weight of 301.23 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol is sourced from PubChem (CID 62619789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).