3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one

C14H19NO3 — CID 117376253

IUPAC3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
SMILESCOc1cc(C(=O)CCN)c(O)c2c1CCCC2
InChIInChI=1S/C14H19NO3/c1-18-13-8-11(12(16)6-7-15)14(17)10-5-3-2-4-9(10)13/h8,17H,2-7,15H2,1H3
InChIKeyODJRBPBKHNBVPU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one

3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one (PubChem CID 117376253) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
PubChem CID117376253
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
SMILESCOc1cc(C(=O)CCN)c(O)c2c1CCCC2
InChIInChI=1S/C14H19NO3/c1-18-13-8-11(12(16)6-7-15)14(17)10-5-3-2-4-9(10)13/h8,17H,2-7,15H2,1H3
InChIKeyODJRBPBKHNBVPU-UHFFFAOYSA-N
XLogP1.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 117338427
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
3-amino-1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 117456967
ethyl 2-hydroxy-2-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 117449891
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117316674
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117381240
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one (CID 117376253) is 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one is COc1cc(C(=O)CCN)c(O)c2c1CCCC2.
What is the InChIKey of 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
The InChIKey is ODJRBPBKHNBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-8-11(12(16)6-7-15)14(17)10-5-3-2-4-9(10)13/h8,17H,2-7,15H2,1H3.
What are the key properties of 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one?
3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 117376253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).