CID 174688914

C7H10BClN — CID 174688914

IUPAC—
SMILESCl.NCc1ccccc1.[B]
InChIInChI=1S/C7H9N.B.ClH/c8-6-7-4-2-1-3-5-7;;/h1-5H,6,8H2;;1H
InChIKeyOKQWAQGGBBKQKO-UHFFFAOYSA-N
MW154.43 g/mol
LogP1.19
Rot. Bonds1

About CID 174688914

CID 174688914 (PubChem CID 174688914) has the molecular formula C7H10BClN and a molecular weight of 154.43 g/mol.

Molecular Properties

Compound NameCID 174688914
PubChem CID174688914
Molecular FormulaC7H10BClN
Molecular Weight154.43 g/mol
Exact Mass154.06
IUPAC Name—
SMILESCl.NCc1ccccc1.[B]
InChIInChI=1S/C7H9N.B.ClH/c8-6-7-4-2-1-3-5-7;;/h1-5H,6,8H2;;1H
InChIKeyOKQWAQGGBBKQKO-UHFFFAOYSA-N
XLogP1.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenylmethanamine
CID 19864074
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
difluoromethane;phenylmethanamine
CID 156875485
ethane;phenylmethanamine;vanadium
CID 158602574
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
2,2-dimethylpropane;phenylmethanamine
CID 158787980
dibromolead;phenylmethanamine
CID 175060358
carbon dioxide;phenylmethanamine
CID 123245363
phenylmethanamine;tetramethylazanium;hydroxide
CID 174471017

Frequently Asked Questions

What is the IUPAC name of CID 174688914?
The IUPAC name of CID 174688914 (CID 174688914) is not available.
What is the SMILES notation for CID 174688914?
The canonical SMILES for CID 174688914 is Cl.NCc1ccccc1.[B].
What is the InChIKey of CID 174688914?
The InChIKey is OKQWAQGGBBKQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.B.ClH/c8-6-7-4-2-1-3-5-7;;/h1-5H,6,8H2;;1H.
What are the key properties of CID 174688914?
CID 174688914 has a molecular weight of 154.43 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174688914 is sourced from PubChem (CID 174688914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).