2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol

C14H22BrNO3 — CID 17157134

IUPAC2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol
SMILESCCOc1c(CNC(C)(C)CO)cc(Br)cc1OC
InChIInChI=1S/C14H22BrNO3/c1-5-19-13-10(8-16-14(2,3)9-17)6-11(15)7-12(13)18-4/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeySUYHUUZNVUGZEU-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.72
Rot. Bonds7

About 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol

2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 17157134) has the molecular formula C14H22BrNO3 and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol
PubChem CID17157134
Molecular FormulaC14H22BrNO3
Molecular Weight332.24 g/mol
Exact Mass331.08
IUPAC Name2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol
SMILESCCOc1c(CNC(C)(C)CO)cc(Br)cc1OC
InChIInChI=1S/C14H22BrNO3/c1-5-19-13-10(8-16-14(2,3)9-17)6-11(15)7-12(13)18-4/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeySUYHUUZNVUGZEU-UHFFFAOYSA-N
XLogP2.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 17158456
4-bromo-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenol
CID 111421705
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331469
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655918
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641
N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156741
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 28724862
2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 66536812
2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid
CID 121210363
(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
CID 29228088

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol (CID 17157134) is 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol is CCOc1c(CNC(C)(C)CO)cc(Br)cc1OC.
What is the InChIKey of 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is SUYHUUZNVUGZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3/c1-5-19-13-10(8-16-14(2,3)9-17)6-11(15)7-12(13)18-4/h6-7,16-17H,5,8-9H2,1-4H3.
What are the key properties of 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 332.24 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 17157134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).