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

C14H19NO2 — CID 117338427

IUPAC3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c2c1CCCC2
InChIInChI=1S/C14H19NO2/c1-17-14-7-6-11(13(16)8-9-15)10-4-2-3-5-12(10)14/h6-7H,2-5,8-9,15H2,1H3
InChIKeyPHYMPSIWJIXNJG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.11
Rot. Bonds4

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

3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one (PubChem CID 117338427) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
PubChem CID117338427
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c2c1CCCC2
InChIInChI=1S/C14H19NO2/c1-17-14-7-6-11(13(16)8-9-15)10-4-2-3-5-12(10)14/h6-7H,2-5,8-9,15H2,1H3
InChIKeyPHYMPSIWJIXNJG-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 117376253
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
4-amino-4-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
CID 117412985
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
3-amino-1-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-one
CID 117335331
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one (CID 117338427) is 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one is COc1ccc(C(=O)CCN)c2c1CCCC2.
What is the InChIKey of 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
The InChIKey is PHYMPSIWJIXNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14-7-6-11(13(16)8-9-15)10-4-2-3-5-12(10)14/h6-7H,2-5,8-9,15H2,1H3.
What are the key properties of 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 117338427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).