sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride

C14H17N2Na — CID 174417250

IUPACsodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride
SMILESCN(C)c1cccc(-c2ccccc2)c1N.[H-].[Na+]
InChIInChI=1S/C14H16N2.Na.H/c1-16(2)13-10-6-9-12(14(13)15)11-7-4-3-5-8-11;;/h3-10H,15H2,1-2H3;;/q;+1;-1
InChIKeySJWBPZJJGMFYAC-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.12
Rot. Bonds2

About sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride

sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride (PubChem CID 174417250) has the molecular formula C14H17N2Na and a molecular weight of 236.29 g/mol. Its IUPAC name is sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride.

Molecular Properties

Compound Namesodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride
PubChem CID174417250
Molecular FormulaC14H17N2Na
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Namesodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride
SMILESCN(C)c1cccc(-c2ccccc2)c1N.[H-].[Na+]
InChIInChI=1S/C14H16N2.Na.H/c1-16(2)13-10-6-9-12(14(13)15)11-7-4-3-5-8-11;;/h3-10H,15H2,1-2H3;;/q;+1;-1
InChIKeySJWBPZJJGMFYAC-UHFFFAOYSA-N
XLogP0.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;N,N-dimethyl-2-phenylaniline
CID 162317872
N,N-dimethyl-2,3-diphenylaniline
CID 18930760
3-phenylbenzene-1,2-diamine
CID 18968019
3-phenylbenzene-1,2-diamine;propane
CID 70378466
2-phenyl-6-phosphanylaniline
CID 149253059
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
2-methyl-N,N-bis(2-methyl-3-phenylphenyl)-3-phenylaniline
CID 70423976
N,2-dimethyl-N,3-diphenylaniline
CID 54080390
hexane;3-phenylbenzene-1,2-diamine
CID 175068745
N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 95046460
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038
3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
CID 67882576

Frequently Asked Questions

What is the IUPAC name of sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride?
The IUPAC name of sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride (CID 174417250) is sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride.
What is the SMILES notation for sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride?
The canonical SMILES for sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride is CN(C)c1cccc(-c2ccccc2)c1N.[H-].[Na+].
What is the InChIKey of sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride?
The InChIKey is SJWBPZJJGMFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.Na.H/c1-16(2)13-10-6-9-12(14(13)15)11-7-4-3-5-8-11;;/h3-10H,15H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride?
sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride has a molecular weight of 236.29 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride is sourced from PubChem (CID 174417250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).