2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C14H19NO3 — CID 115510779

IUPAC2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCCNC1(C(=O)O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C14H19NO3/c1-3-15-14(13(16)17)7-6-10-4-5-12(18-2)8-11(10)9-14/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyUCLVRLHFZYUOPL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds4

About 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 115510779) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID115510779
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCCNC1(C(=O)O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C14H19NO3/c1-3-15-14(13(16)17)7-6-10-4-5-12(18-2)8-11(10)9-14/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyUCLVRLHFZYUOPL-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511201
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-carboxamide
CID 115510759
2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510770
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
7-methoxy-2-piperidin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115511065
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
methyl 2-[2-(1-aminopropyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511242
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 115510779) is 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is CCNC1(C(=O)O)CCc2ccc(OC)cc2C1.
What is the InChIKey of 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is UCLVRLHFZYUOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-15-14(13(16)17)7-6-10-4-5-12(18-2)8-11(10)9-14/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 115510779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).