methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate

C16H23NO3 — CID 115511201

IUPACmethyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCNC1(CC(=O)OC)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H23NO3/c1-4-17-16(11-15(18)20-3)8-7-12-5-6-14(19-2)9-13(12)10-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3
InChIKeyNXTLIXFAXXBACO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.10
Rot. Bonds5

About methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate

methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate (PubChem CID 115511201) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
PubChem CID115511201
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCNC1(CC(=O)OC)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H23NO3/c1-4-17-16(11-15(18)20-3)8-7-12-5-6-14(19-2)9-13(12)10-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3
InChIKeyNXTLIXFAXXBACO-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
methyl 2-[2-(1-aminopropyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511242
2-[2-(ethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
CID 65233946
2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 115510736
[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 115511086
methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 115510796
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510759
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510770

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The IUPAC name of methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate (CID 115511201) is methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate.
What is the SMILES notation for methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The canonical SMILES for methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate is CCNC1(CC(=O)OC)CCc2ccc(OC)cc2C1.
What is the InChIKey of methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The InChIKey is NXTLIXFAXXBACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-17-16(11-15(18)20-3)8-7-12-5-6-14(19-2)9-13(12)10-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate is sourced from PubChem (CID 115511201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).