CID 163931246

C13H13NNa — CID 163931246

IUPAC—
SMILES[Na].c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C13H13N.Na/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;
InChIKeyRIVXZPGDYFZACG-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.92
Rot. Bonds3

About CID 163931246

CID 163931246 (PubChem CID 163931246) has the molecular formula C13H13NNa and a molecular weight of 206.24 g/mol.

Molecular Properties

Compound NameCID 163931246
PubChem CID163931246
Molecular FormulaC13H13NNa
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name—
SMILES[Na].c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C13H13N.Na/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;
InChIKeyRIVXZPGDYFZACG-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-phenylphenyl)methyl]aniline
CID 10658964
N-benzyl-N'-phenylmethanediamine
CID 151589453
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
4-(benzylamino)phenol;hydrochloride
CID 16738613
N-benzyl-4-chloroaniline chloride
CID 45109713
4-(anilinomethyl)benzenesulfonyl fluoride
CID 154447253
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-(benzylamino)benzenethiol
CID 146183965
N-[(4-ethynylphenyl)methyl]aniline
CID 102397569
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393

Frequently Asked Questions

What is the IUPAC name of CID 163931246?
The IUPAC name of CID 163931246 (CID 163931246) is not available.
What is the SMILES notation for CID 163931246?
The canonical SMILES for CID 163931246 is [Na].c1ccc(CNc2ccccc2)cc1.
What is the InChIKey of CID 163931246?
The InChIKey is RIVXZPGDYFZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.Na/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;.
What are the key properties of CID 163931246?
CID 163931246 has a molecular weight of 206.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163931246 is sourced from PubChem (CID 163931246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).