3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol

C13H20Br2N2O — CID 114077381

IUPAC3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol
SMILESCCC(CCO)NC(CN)c1ccc(Br)c(Br)c1
InChIInChI=1S/C13H20Br2N2O/c1-2-10(5-6-18)17-13(8-16)9-3-4-11(14)12(15)7-9/h3-4,7,10,13,17-18H,2,5-6,8,16H2,1H3
InChIKeyCHPIYVIQOXRIPS-UHFFFAOYSA-N
MW380.12 g/mol
LogP2.96
Rot. Bonds7

About 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol

3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol (PubChem CID 114077381) has the molecular formula C13H20Br2N2O and a molecular weight of 380.12 g/mol. Its IUPAC name is 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol
PubChem CID114077381
Molecular FormulaC13H20Br2N2O
Molecular Weight380.12 g/mol
Exact Mass377.99
IUPAC Name3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol
SMILESCCC(CCO)NC(CN)c1ccc(Br)c(Br)c1
InChIInChI=1S/C13H20Br2N2O/c1-2-10(5-6-18)17-13(8-16)9-3-4-11(14)12(15)7-9/h3-4,7,10,13,17-18H,2,5-6,8,16H2,1H3
InChIKeyCHPIYVIQOXRIPS-UHFFFAOYSA-N
XLogP2.96
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-amino-1-(3-bromo-4-methylphenyl)ethyl]amino]pentan-1-ol
CID 105405192
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
CID 113376154
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol
CID 171265799
2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol
CID 115894663
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
3-[[2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)ethyl]amino]butan-1-ol
CID 83176800
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472
3-[[2-amino-1-(2-bromo-5-methoxyphenyl)ethyl]amino]butan-1-ol
CID 114077715

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol?
The IUPAC name of 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol (CID 114077381) is 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol is CCC(CCO)NC(CN)c1ccc(Br)c(Br)c1.
What is the InChIKey of 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol?
The InChIKey is CHPIYVIQOXRIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O/c1-2-10(5-6-18)17-13(8-16)9-3-4-11(14)12(15)7-9/h3-4,7,10,13,17-18H,2,5-6,8,16H2,1H3.
What are the key properties of 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol?
3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol has a molecular weight of 380.12 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 114077381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).