CID 10739949

C18H24NO2Sn — CID 10739949

IUPAC—
SMILESC[Sn](C)C.Cc1cccc(Nc2ccccc2C(=O)O)c1C
InChIInChI=1S/C15H15NO2.3CH3.Sn/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;;;;/h3-9,16H,1-2H3,(H,17,18);3*1H3;
InChIKeyHSYTYXDJLWUFSP-UHFFFAOYSA-N
MW405.11 g/mol
LogP5.12
Rot. Bonds3

About CID 10739949

CID 10739949 (PubChem CID 10739949) has the molecular formula C18H24NO2Sn and a molecular weight of 405.11 g/mol.

Molecular Properties

Compound NameCID 10739949
PubChem CID10739949
Molecular FormulaC18H24NO2Sn
Molecular Weight405.11 g/mol
Exact Mass406.08
IUPAC Name—
SMILESC[Sn](C)C.Cc1cccc(Nc2ccccc2C(=O)O)c1C
InChIInChI=1S/C15H15NO2.3CH3.Sn/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;;;;/h3-9,16H,1-2H3,(H,17,18);3*1H3;
InChIKeyHSYTYXDJLWUFSP-UHFFFAOYSA-N
XLogP5.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.11
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

deuterio 2-(2,3-dimethylanilino)benzoate
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bis(2-(2,3-dimethylanilino)benzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine
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copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
2-[3-(hydroxymethyl)-2-methylanilino]benzoic acid
CID 610738
2-[3-(iodomethyl)-2-methylanilino]benzoic acid
CID 129146645
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
2,3-dimethyl-N-phenylaniline
CID 14952469
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
2-(2-benzoylanilino)-3-methylbenzoic acid
CID 22294681

Frequently Asked Questions

What is the IUPAC name of CID 10739949?
The IUPAC name of CID 10739949 (CID 10739949) is not available.
What is the SMILES notation for CID 10739949?
The canonical SMILES for CID 10739949 is C[Sn](C)C.Cc1cccc(Nc2ccccc2C(=O)O)c1C.
What is the InChIKey of CID 10739949?
The InChIKey is HSYTYXDJLWUFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.3CH3.Sn/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;;;;/h3-9,16H,1-2H3,(H,17,18);3*1H3;.
What are the key properties of CID 10739949?
CID 10739949 has a molecular weight of 405.11 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10739949 is sourced from PubChem (CID 10739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).