2-[(4-bromophenyl)methyl-propylamino]ethanol

C12H18BrNO — CID 783142

IUPAC2-[(4-bromophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-2-7-14(8-9-15)10-11-3-5-12(13)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyXIDYNAGPSYEBQO-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.65
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-propylamino]ethanol

2-[(4-bromophenyl)methyl-propylamino]ethanol (PubChem CID 783142) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-propylamino]ethanol
PubChem CID783142
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[(4-bromophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-2-7-14(8-9-15)10-11-3-5-12(13)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyXIDYNAGPSYEBQO-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(4-bromophenyl)methyl-propylamino]ethanol (CID 783142) is 2-[(4-bromophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(4-bromophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-propylamino]ethanol?
The InChIKey is XIDYNAGPSYEBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-7-14(8-9-15)10-11-3-5-12(13)6-4-11/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl-propylamino]ethanol?
2-[(4-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-[(4-bromophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 783142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).