3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol

C16H26BrNO3 — CID 103707845

IUPAC3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H26BrNO3/c1-4-5-12(6-7-19)10-18-11-13-8-15(20-2)16(21-3)9-14(13)17/h8-9,12,18-19H,4-7,10-11H2,1-3H3
InChIKeyUDDYWLKGAMEYEL-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.35
Rot. Bonds10

About 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol

3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol (PubChem CID 103707845) has the molecular formula C16H26BrNO3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol
PubChem CID103707845
Molecular FormulaC16H26BrNO3
Molecular Weight360.29 g/mol
Exact Mass359.11
IUPAC Name3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H26BrNO3/c1-4-5-12(6-7-19)10-18-11-13-8-15(20-2)16(21-3)9-14(13)17/h8-9,12,18-19H,4-7,10-11H2,1-3H3
InChIKeyUDDYWLKGAMEYEL-UHFFFAOYSA-N
XLogP3.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910427
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-cyclopropylpropan-1-ol
CID 111457490
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
CID 119316740

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol (CID 103707845) is 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cc(OC)c(OC)cc1Br.
What is the InChIKey of 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol?
The InChIKey is UDDYWLKGAMEYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO3/c1-4-5-12(6-7-19)10-18-11-13-8-15(20-2)16(21-3)9-14(13)17/h8-9,12,18-19H,4-7,10-11H2,1-3H3.
What are the key properties of 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol?
3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol has a molecular weight of 360.29 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103707845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).