2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol

C14H22BrNO3 — CID 30981796

IUPAC2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(Br)c(OC)cc1OC
InChIInChI=1S/C14H22BrNO3/c1-4-5-16(6-7-17)10-11-8-12(15)14(19-3)9-13(11)18-2/h8-9,17H,4-7,10H2,1-3H3
InChIKeyLWKAYKRZGPOJST-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.67
Rot. Bonds8

About 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol

2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol (PubChem CID 30981796) has the molecular formula C14H22BrNO3 and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
PubChem CID30981796
Molecular FormulaC14H22BrNO3
Molecular Weight332.24 g/mol
Exact Mass331.08
IUPAC Name2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cc(Br)c(OC)cc1OC
InChIInChI=1S/C14H22BrNO3/c1-4-5-16(6-7-17)10-11-8-12(15)14(19-3)9-13(11)18-2/h8-9,17H,4-7,10H2,1-3H3
InChIKeyLWKAYKRZGPOJST-UHFFFAOYSA-N
XLogP2.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2244920
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 112683473
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol
CID 60694635
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol (CID 30981796) is 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cc(Br)c(OC)cc1OC.
What is the InChIKey of 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol?
The InChIKey is LWKAYKRZGPOJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3/c1-4-5-16(6-7-17)10-11-8-12(15)14(19-3)9-13(11)18-2/h8-9,17H,4-7,10H2,1-3H3.
What are the key properties of 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol?
2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol has a molecular weight of 332.24 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 30981796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).