2-[(3-bromophenyl)methyl-propylamino]ethanol

C12H18BrNO — CID 782380

IUPAC2-[(3-bromophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-2-6-14(7-8-15)10-11-4-3-5-12(13)9-11/h3-5,9,15H,2,6-8,10H2,1H3
InChIKeyMTCJFNPIGYILFW-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.65
Rot. Bonds6

About 2-[(3-bromophenyl)methyl-propylamino]ethanol

2-[(3-bromophenyl)methyl-propylamino]ethanol (PubChem CID 782380) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-propylamino]ethanol
PubChem CID782380
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[(3-bromophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-2-6-14(7-8-15)10-11-4-3-5-12(13)9-11/h3-5,9,15H,2,6-8,10H2,1H3
InChIKeyMTCJFNPIGYILFW-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium
CID 2431
2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
4-(3-Bromobenzyl)morpholine
CID 783082
2-[(3-Bromobenzyl)amino]ethanol
CID 2215605
2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride
CID 2960455
2-[(4-Bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
1-(3-Bromobenzyl)azepane
CID 1377274
1-(3-Bromobenzyl)piperidin-4-ol
CID 765218
Benzyl(2-hydroxyethyl)dimethylammonium chloride
CID 3014549
4-(4-Bromobenzyl)morpholine
CID 783503

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(3-bromophenyl)methyl-propylamino]ethanol (CID 782380) is 2-[(3-bromophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(3-bromophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-propylamino]ethanol?
The InChIKey is MTCJFNPIGYILFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-6-14(7-8-15)10-11-4-3-5-12(13)9-11/h3-5,9,15H,2,6-8,10H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl-propylamino]ethanol?
2-[(3-bromophenyl)methyl-propylamino]ethanol has a molecular weight of 272.19 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 782380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).