2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol

C13H20BrNO2 — CID 115133534

IUPAC2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(CCNC(C)(C)CO)cc1Br
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-16)15-7-6-10-4-5-12(17-3)11(14)8-10/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyFHLUIDCFOUEODW-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.36
Rot. Bonds6

About 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol

2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol (PubChem CID 115133534) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
PubChem CID115133534
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(CCNC(C)(C)CO)cc1Br
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-16)15-7-6-10-4-5-12(17-3)11(14)8-10/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyFHLUIDCFOUEODW-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 115178909
3-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 111469026
3-amino-N-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 115155049
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977072
2-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]butan-1-ol
CID 115250998
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
2-N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132118
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-ethylpyrimidin-2-amine
CID 59643362
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-butylurea
CID 3781568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol (CID 115133534) is 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol is COc1ccc(CCNC(C)(C)CO)cc1Br.
What is the InChIKey of 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is FHLUIDCFOUEODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-13(2,9-16)15-7-6-10-4-5-12(17-3)11(14)8-10/h4-5,8,15-16H,6-7,9H2,1-3H3.
What are the key properties of 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol?
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).