2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C14H20BrNO2 — CID 117499849

IUPAC2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCOc1c(Br)c2c(c(C)c1C(O)CN)CCCC2
InChIInChI=1S/C14H20BrNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18-2)12(8)11(17)7-16/h11,17H,3-7,16H2,1-2H3
InChIKeyNFWTXIPCRZLKME-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 117499849) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID117499849
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCOc1c(Br)c2c(c(C)c1C(O)CN)CCCC2
InChIInChI=1S/C14H20BrNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18-2)12(8)11(17)7-16/h11,17H,3-7,16H2,1-2H3
InChIKeyNFWTXIPCRZLKME-UHFFFAOYSA-N
XLogP2.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol with MolForge

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Related Compounds

2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117499843
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 84688656
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84715361
[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine
CID 117402949
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 117499849) is 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is COc1c(Br)c2c(c(C)c1C(O)CN)CCCC2.
What is the InChIKey of 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is NFWTXIPCRZLKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18-2)12(8)11(17)7-16/h11,17H,3-7,16H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 117499849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).