2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene

C19H20N3O2S- — CID 175280500

IUPAC2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene
SMILESCc1cc(N)ccc1N(c1ccc2cc(N(C)C)ccc2c1)S(=O)[O-]
InChIInChI=1S/C19H21N3O2S/c1-13-10-16(20)6-9-19(13)22(25(23)24)18-8-5-14-11-17(21(2)3)7-4-15(14)12-18/h4-12H,20H2,1-3H3,(H,23,24)/p-1
InChIKeyAFUHCKMSUFZYIH-UHFFFAOYSA-M
MW354.46 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene

2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene (PubChem CID 175280500) has the molecular formula C19H20N3O2S- and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene.

Molecular Properties

Compound Name2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene
PubChem CID175280500
Molecular FormulaC19H20N3O2S-
Molecular Weight354.46 g/mol
Exact Mass354.13
IUPAC Name2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene
SMILESCc1cc(N)ccc1N(c1ccc2cc(N(C)C)ccc2c1)S(=O)[O-]
InChIInChI=1S/C19H21N3O2S/c1-13-10-16(20)6-9-19(13)22(25(23)24)18-8-5-14-11-17(21(2)3)7-4-15(14)12-18/h4-12H,20H2,1-3H3,(H,23,24)/p-1
InChIKeyAFUHCKMSUFZYIH-UHFFFAOYSA-M
XLogP3.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene?
The IUPAC name of 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene (CID 175280500) is 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene.
What is the SMILES notation for 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene?
The canonical SMILES for 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene is Cc1cc(N)ccc1N(c1ccc2cc(N(C)C)ccc2c1)S(=O)[O-].
What is the InChIKey of 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene?
The InChIKey is AFUHCKMSUFZYIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21N3O2S/c1-13-10-16(20)6-9-19(13)22(25(23)24)18-8-5-14-11-17(21(2)3)7-4-15(14)12-18/h4-12H,20H2,1-3H3,(H,23,24)/p-1.
What are the key properties of 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene?
2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene has a molecular weight of 354.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methyl-N-sulfinatoanilino)-6-(dimethylamino)naphthalene is sourced from PubChem (CID 175280500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).