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

C16H23NO3 — CID 115510793

IUPAC7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(NCC(C)C)(C(=O)O)CC2
InChIInChI=1S/C16H23NO3/c1-11(2)10-17-16(15(18)19)7-6-12-4-5-14(20-3)8-13(12)9-16/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyDEBFSHXITFPTTB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.25
Rot. Bonds5

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

7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 115510793) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID115510793
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(NCC(C)C)(C(=O)O)CC2
InChIInChI=1S/C16H23NO3/c1-11(2)10-17-16(15(18)19)7-6-12-4-5-14(20-3)8-13(12)9-16/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyDEBFSHXITFPTTB-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.25
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-carboxamide
CID 115510759
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510770
methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 115510796
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate
CID 115511103
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970
methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511201
ethyl 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630637
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
methyl 2-[2-(1-aminopropyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511242

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 115510793) is 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COc1ccc2c(c1)CC(NCC(C)C)(C(=O)O)CC2.
What is the InChIKey of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is DEBFSHXITFPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)10-17-16(15(18)19)7-6-12-4-5-14(20-3)8-13(12)9-16/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 115510793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).