1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C14H20BrNO2 — CID 117499843

IUPAC1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNCC(O)c1c(C)c2c(c(Br)c1O)CCCC2
InChIInChI=1S/C14H20BrNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18)12(8)11(17)7-16-2/h11,16-18H,3-7H2,1-2H3
InChIKeyDNDCOANNLDTFRO-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.59
Rot. Bonds3

About 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117499843) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117499843
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNCC(O)c1c(C)c2c(c(Br)c1O)CCCC2
InChIInChI=1S/C14H20BrNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18)12(8)11(17)7-16-2/h11,16-18H,3-7H2,1-2H3
InChIKeyDNDCOANNLDTFRO-UHFFFAOYSA-N
XLogP2.59
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117483744
2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
CID 84677134
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
CID 84806393
4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol
CID 117108193
2-amino-1-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117499849
2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117316238
4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 117319735
1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117499843) is 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is CNCC(O)c1c(C)c2c(c(Br)c1O)CCCC2.
What is the InChIKey of 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is DNDCOANNLDTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18)12(8)11(17)7-16-2/h11,16-18H,3-7H2,1-2H3.
What are the key properties of 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 314.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117499843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).