2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

C14H19NO2 — CID 83824130

IUPAC2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCN(C)c1ccc2c(c1)CCCC2CC(=O)O
InChIInChI=1S/C14H19NO2/c1-15(2)12-6-7-13-10(8-12)4-3-5-11(13)9-14(16)17/h6-8,11H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyYLSPUULJXSZKBU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds3

About 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (PubChem CID 83824130) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
PubChem CID83824130
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCN(C)c1ccc2c(c1)CCCC2CC(=O)O
InChIInChI=1S/C14H19NO2/c1-15(2)12-6-7-13-10(8-12)4-3-5-11(13)9-14(16)17/h6-8,11H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyYLSPUULJXSZKBU-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 105474204
2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 105455582
3-[[(1R)-6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118606594
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
5-(dimethylamino)-2,3-dihydro-1H-inden-1-ol
CID 83816705
5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105422256
1-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-one
CID 159618617
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542
2-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetic acid
CID 81104414

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The IUPAC name of 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (CID 83824130) is 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is CN(C)c1ccc2c(c1)CCCC2CC(=O)O.
What is the InChIKey of 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The InChIKey is YLSPUULJXSZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)12-6-7-13-10(8-12)4-3-5-11(13)9-14(16)17/h6-8,11H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is sourced from PubChem (CID 83824130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).