2-[(3,4-dibromophenyl)methyl-propylamino]ethanol

C12H17Br2NO — CID 115880013

IUPAC2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-2-5-15(6-7-16)9-10-3-4-11(13)12(14)8-10/h3-4,8,16H,2,5-7,9H2,1H3
InChIKeyUVGJPYVSWUKYJQ-UHFFFAOYSA-N
MW351.08 g/mol
LogP3.42
Rot. Bonds6

About 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol

2-[(3,4-dibromophenyl)methyl-propylamino]ethanol (PubChem CID 115880013) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
PubChem CID115880013
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-2-5-15(6-7-16)9-10-3-4-11(13)12(14)8-10/h3-4,8,16H,2,5-7,9H2,1H3
InChIKeyUVGJPYVSWUKYJQ-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
CID 115879563
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
2-[(3-bromo-2,6-difluorophenyl)methyl-propylamino]ethanol
CID 106268665
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
2-[(3-bromo-4-methylphenyl)methyl-propylamino]acetic acid
CID 105403617
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
CID 60689446
2-[(3-nitrophenyl)methyl-propylamino]ethanol
CID 30981311
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 141138330

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol (CID 115880013) is 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(Br)c(Br)c1.
What is the InChIKey of 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol?
The InChIKey is UVGJPYVSWUKYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-2-5-15(6-7-16)9-10-3-4-11(13)12(14)8-10/h3-4,8,16H,2,5-7,9H2,1H3.
What are the key properties of 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol?
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol has a molecular weight of 351.08 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dibromophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 115880013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).