[(4-chlorophenyl)-phenylmethyl]-methanidylazanium

C14H14ClN — CID 58816619

IUPAC[(4-chlorophenyl)-phenylmethyl]-methanidylazanium
SMILES[CH2-][NH2+]C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14H,1,16H2
InChIKeyDWPOZLJSGNYGKR-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.78
Rot. Bonds3

About [(4-chlorophenyl)-phenylmethyl]-methanidylazanium

[(4-chlorophenyl)-phenylmethyl]-methanidylazanium (PubChem CID 58816619) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is [(4-chlorophenyl)-phenylmethyl]-methanidylazanium.

Molecular Properties

Compound Name[(4-chlorophenyl)-phenylmethyl]-methanidylazanium
PubChem CID58816619
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name[(4-chlorophenyl)-phenylmethyl]-methanidylazanium
SMILES[CH2-][NH2+]C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14H,1,16H2
InChIKeyDWPOZLJSGNYGKR-UHFFFAOYSA-N
XLogP2.78
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-phenylmethyl]-methanidylazanium?
The IUPAC name of [(4-chlorophenyl)-phenylmethyl]-methanidylazanium (CID 58816619) is [(4-chlorophenyl)-phenylmethyl]-methanidylazanium.
What is the SMILES notation for [(4-chlorophenyl)-phenylmethyl]-methanidylazanium?
The canonical SMILES for [(4-chlorophenyl)-phenylmethyl]-methanidylazanium is [CH2-][NH2+]C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)-phenylmethyl]-methanidylazanium?
The InChIKey is DWPOZLJSGNYGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14H,1,16H2.
What are the key properties of [(4-chlorophenyl)-phenylmethyl]-methanidylazanium?
[(4-chlorophenyl)-phenylmethyl]-methanidylazanium has a molecular weight of 231.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-phenylmethyl]-methanidylazanium is sourced from PubChem (CID 58816619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).