2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid

C15H21NO2 — CID 115420429

IUPAC2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
SMILESCC1CCC(CC(=O)O)(N(C)C)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-11-8-9-15(16(2)3,10-14(17)18)13-7-5-4-6-12(11)13/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyPZDUKIFLNUJSBW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid

2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid (PubChem CID 115420429) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
PubChem CID115420429
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
SMILESCC1CCC(CC(=O)O)(N(C)C)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-11-8-9-15(16(2)3,10-14(17)18)13-7-5-4-6-12(11)13/h4-7,11H,8-10H2,1-3H3,(H,17,18)
InChIKeyPZDUKIFLNUJSBW-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
1-(aminomethyl)-N-cyclohexyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418589
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 143660147
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115418640
2-[2-(carboxymethyl)-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl]acetic acid
CID 10576392
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 113306025
[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 113306069

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid?
The IUPAC name of 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid (CID 115420429) is 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid is CC1CCC(CC(=O)O)(N(C)C)c2ccccc21.
What is the InChIKey of 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid?
The InChIKey is PZDUKIFLNUJSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-9-15(16(2)3,10-14(17)18)13-7-5-4-6-12(11)13/h4-7,11H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid?
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid is sourced from PubChem (CID 115420429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).