2-[benzyl(2-bromoprop-2-enyl)amino]ethanol

C12H16BrNO — CID 62115476

IUPAC2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
SMILESC=C(Br)CN(CCO)Cc1ccccc1
InChIInChI=1S/C12H16BrNO/c1-11(13)9-14(7-8-15)10-12-5-3-2-4-6-12/h2-6,15H,1,7-10H2
InChIKeyFNAOGLRAIIGIPU-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.39
Rot. Bonds6

About 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol

2-[benzyl(2-bromoprop-2-enyl)amino]ethanol (PubChem CID 62115476) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
PubChem CID62115476
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
SMILESC=C(Br)CN(CCO)Cc1ccccc1
InChIInChI=1S/C12H16BrNO/c1-11(13)9-14(7-8-15)10-12-5-3-2-4-6-12/h2-6,15H,1,7-10H2
InChIKeyFNAOGLRAIIGIPU-UHFFFAOYSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070296
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
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2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol?
The IUPAC name of 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol (CID 62115476) is 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol is C=C(Br)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol?
The InChIKey is FNAOGLRAIIGIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-11(13)9-14(7-8-15)10-12-5-3-2-4-6-12/h2-6,15H,1,7-10H2.
What are the key properties of 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol?
2-[benzyl(2-bromoprop-2-enyl)amino]ethanol has a molecular weight of 270.17 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-bromoprop-2-enyl)amino]ethanol is sourced from PubChem (CID 62115476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).