4-(dimethylamino)naphthalene-1-carboxylate

C13H12NO2- — CID 7005026

IUPAC4-(dimethylamino)naphthalene-1-carboxylate
SMILESCN(C)c1ccc(C(=O)[O-])c2ccccc12
InChIInChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)/p-1
InChIKeyLZQKNRRVTOJUHQ-UHFFFAOYSA-M
MW214.24 g/mol
LogP1.27
Rot. Bonds2

About 4-(dimethylamino)naphthalene-1-carboxylate

4-(dimethylamino)naphthalene-1-carboxylate (PubChem CID 7005026) has the molecular formula C13H12NO2- and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-(dimethylamino)naphthalene-1-carboxylate.

Molecular Properties

Compound Name4-(dimethylamino)naphthalene-1-carboxylate
PubChem CID7005026
Molecular FormulaC13H12NO2-
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name4-(dimethylamino)naphthalene-1-carboxylate
SMILESCN(C)c1ccc(C(=O)[O-])c2ccccc12
InChIInChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)/p-1
InChIKeyLZQKNRRVTOJUHQ-UHFFFAOYSA-M
XLogP1.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)-propylamino]benzoic acid
CID 9951775
4-[Methyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10784137
Sodium p-dimethylaminobenzoate
CID 23699059
4-(Dimethylamino)-1-naphthoic acid
CID 522695
4-[Ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 9841381
4-[Methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10337160
4-[Propyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10690215
4-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 101945012
4-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid
CID 118343106
4-[Ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid
CID 118343109
4-(Trimethylazaniumyl)benzoate
CID 590677
4-Dimethylamino-1-naphthaldehyde
CID 608052

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)naphthalene-1-carboxylate?
The IUPAC name of 4-(dimethylamino)naphthalene-1-carboxylate (CID 7005026) is 4-(dimethylamino)naphthalene-1-carboxylate.
What is the SMILES notation for 4-(dimethylamino)naphthalene-1-carboxylate?
The canonical SMILES for 4-(dimethylamino)naphthalene-1-carboxylate is CN(C)c1ccc(C(=O)[O-])c2ccccc12.
What is the InChIKey of 4-(dimethylamino)naphthalene-1-carboxylate?
The InChIKey is LZQKNRRVTOJUHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)/p-1.
What are the key properties of 4-(dimethylamino)naphthalene-1-carboxylate?
4-(dimethylamino)naphthalene-1-carboxylate has a molecular weight of 214.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)naphthalene-1-carboxylate is sourced from PubChem (CID 7005026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).