CID 139098464

C16H20BN2P- — CID 139098464

IUPAC—
SMILES[B-]P(c1ccccc1N(C)C)c1ccccc1N(C)C
InChIInChI=1S/C16H20BN2P/c1-18(2)13-9-5-7-11-15(13)20(17)16-12-8-6-10-14(16)19(3)4/h5-12H,1-4H3/q-1
InChIKeyNBPXUVYIHCDDCS-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.33
Rot. Bonds4

About CID 139098464

CID 139098464 (PubChem CID 139098464) has the molecular formula C16H20BN2P- and a molecular weight of 282.14 g/mol.

Molecular Properties

Compound NameCID 139098464
PubChem CID139098464
Molecular FormulaC16H20BN2P-
Molecular Weight282.14 g/mol
Exact Mass282.15
IUPAC Name—
SMILES[B-]P(c1ccccc1N(C)C)c1ccccc1N(C)C
InChIInChI=1S/C16H20BN2P/c1-18(2)13-9-5-7-11-15(13)20(17)16-12-8-6-10-14(16)19(3)4/h5-12H,1-4H3/q-1
InChIKeyNBPXUVYIHCDDCS-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline
CID 11286232
2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)
CID 11378020
2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline
CID 158394511
CID 58850505
CID 58850505
2-[bis(1-adamantyl)phosphanyl]-N,N-dimethylaniline;chlorogold
CID 117065234
lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)
CID 87556607
2-methanidyl-N,N-dimethylaniline;titanium(3+)
CID 22399653
bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)
CID 139264400
bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)
CID 21399652
CID 119078632
CID 119078632
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
ethane;methylphosphane;N,N,2-trimethylaniline
CID 162765401

Frequently Asked Questions

What is the IUPAC name of CID 139098464?
The IUPAC name of CID 139098464 (CID 139098464) is not available.
What is the SMILES notation for CID 139098464?
The canonical SMILES for CID 139098464 is [B-]P(c1ccccc1N(C)C)c1ccccc1N(C)C.
What is the InChIKey of CID 139098464?
The InChIKey is NBPXUVYIHCDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BN2P/c1-18(2)13-9-5-7-11-15(13)20(17)16-12-8-6-10-14(16)19(3)4/h5-12H,1-4H3/q-1.
What are the key properties of CID 139098464?
CID 139098464 has a molecular weight of 282.14 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139098464 is sourced from PubChem (CID 139098464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).