2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid

C16H20N2O2 — CID 61001910

IUPAC2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
SMILESCN(C)CCNC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-18(2)11-10-17-15(16(19)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15,17H,10-11H2,1-2H3,(H,19,20)
InChIKeyGGCKLUFDHZRAFT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.12
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid

2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid (PubChem CID 61001910) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
PubChem CID61001910
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
SMILESCN(C)CCNC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-18(2)11-10-17-15(16(19)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15,17H,10-11H2,1-2H3,(H,19,20)
InChIKeyGGCKLUFDHZRAFT-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(2-nitrophenyl)acetic acid
CID 84748520
2-isoquinolin-4-yl-2-(propylamino)acetic acid
CID 104504256
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
CID 54895272
2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
2-naphthalen-1-yl-2-(propylamino)acetamide
CID 60796538
2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684905
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 63667585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid (CID 61001910) is 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid is CN(C)CCNC(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid?
The InChIKey is GGCKLUFDHZRAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(2)11-10-17-15(16(19)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15,17H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid?
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid has a molecular weight of 272.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 61001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).