methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate

C16H23NO3 — CID 70953559

IUPACmethyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCNCCC1(C(=O)OC)CCCc2ccc(OC)cc21
InChIInChI=1S/C16H23NO3/c1-17-10-9-16(15(18)20-3)8-4-5-12-6-7-13(19-2)11-14(12)16/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyPTRISDARCMRZJA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds5

About methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate

methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate (PubChem CID 70953559) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate
PubChem CID70953559
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCNCCC1(C(=O)OC)CCCc2ccc(OC)cc21
InChIInChI=1S/C16H23NO3/c1-17-10-9-16(15(18)20-3)8-4-5-12-6-7-13(19-2)11-14(12)16/h6-7,11,17H,4-5,8-10H2,1-3H3
InChIKeyPTRISDARCMRZJA-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235885
methyl 5-methoxy-2'-methylspiro[1,2-dihydroindene-3,3'-oxirane]-2'-carboxylate
CID 79368968
7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 79230787
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate?
The IUPAC name of methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate (CID 70953559) is methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate?
The canonical SMILES for methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate is CNCCC1(C(=O)OC)CCCc2ccc(OC)cc21.
What is the InChIKey of methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate?
The InChIKey is PTRISDARCMRZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-10-9-16(15(18)20-3)8-4-5-12-6-7-13(19-2)11-14(12)16/h6-7,11,17H,4-5,8-10H2,1-3H3.
What are the key properties of methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate?
methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate is sourced from PubChem (CID 70953559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).