2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol

C13H20BrNO — CID 115894663

IUPAC2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol
SMILESCCC(CC)NC(CO)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-3-12(4-2)15-13(9-16)10-6-5-7-11(14)8-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3
InChIKeyROBPHQHGBKXOEI-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.26
Rot. Bonds6

About 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol

2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol (PubChem CID 115894663) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol
PubChem CID115894663
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol
SMILESCCC(CC)NC(CO)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-3-12(4-2)15-13(9-16)10-6-5-7-11(14)8-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3
InChIKeyROBPHQHGBKXOEI-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[1-(3-bromophenyl)ethylamino]butan-1-ol
CID 104980716
(2R)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-1-ol
CID 28723457
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
CID 113262006
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
N-[1-(3-bromophenyl)propyl]but-3-yn-2-amine
CID 114415261
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol?
The IUPAC name of 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol (CID 115894663) is 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol is CCC(CC)NC(CO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol?
The InChIKey is ROBPHQHGBKXOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-12(4-2)15-13(9-16)10-6-5-7-11(14)8-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol?
2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol has a molecular weight of 286.21 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol is sourced from PubChem (CID 115894663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).