2-[1-(2-bromophenyl)propylamino]ethanol

C11H16BrNO — CID 115707470

IUPAC2-[1-(2-bromophenyl)propylamino]ethanol
SMILESCCC(NCCO)c1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-2-11(13-7-8-14)9-5-3-4-6-10(9)12/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyHFEZXOFRRNRTEJ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-(2-bromophenyl)propylamino]ethanol

2-[1-(2-bromophenyl)propylamino]ethanol (PubChem CID 115707470) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)propylamino]ethanol.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)propylamino]ethanol
PubChem CID115707470
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-[1-(2-bromophenyl)propylamino]ethanol
SMILESCCC(NCCO)c1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-2-11(13-7-8-14)9-5-3-4-6-10(9)12/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyHFEZXOFRRNRTEJ-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 75441618
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898
3-[2-[1-(propylamino)propyl]phenyl]sulfanylpropan-1-ol
CID 112678712
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)propylamino]ethanol?
The IUPAC name of 2-[1-(2-bromophenyl)propylamino]ethanol (CID 115707470) is 2-[1-(2-bromophenyl)propylamino]ethanol.
What is the SMILES notation for 2-[1-(2-bromophenyl)propylamino]ethanol?
The canonical SMILES for 2-[1-(2-bromophenyl)propylamino]ethanol is CCC(NCCO)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)propylamino]ethanol?
The InChIKey is HFEZXOFRRNRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-11(13-7-8-14)9-5-3-4-6-10(9)12/h3-6,11,13-14H,2,7-8H2,1H3.
What are the key properties of 2-[1-(2-bromophenyl)propylamino]ethanol?
2-[1-(2-bromophenyl)propylamino]ethanol has a molecular weight of 258.16 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)propylamino]ethanol is sourced from PubChem (CID 115707470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).