bis(4-chlorophenol);phenylmethanamine

C19H19Cl2NO2 — CID 70600603

IUPACbis(4-chlorophenol);phenylmethanamine
SMILESNCc1ccccc1.Oc1ccc(Cl)cc1.Oc1ccc(Cl)cc1
InChIInChI=1S/C7H9N.2C6H5ClO/c8-6-7-4-2-1-3-5-7;2*7-5-1-3-6(8)4-2-5/h1-5H,6,8H2;2*1-4,8H
InChIKeyKPIIMLDPCCQSPV-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.24
Rot. Bonds1

About bis(4-chlorophenol);phenylmethanamine

bis(4-chlorophenol);phenylmethanamine (PubChem CID 70600603) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is bis(4-chlorophenol);phenylmethanamine.

Molecular Properties

Compound Namebis(4-chlorophenol);phenylmethanamine
PubChem CID70600603
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Namebis(4-chlorophenol);phenylmethanamine
SMILESNCc1ccccc1.Oc1ccc(Cl)cc1.Oc1ccc(Cl)cc1
InChIInChI=1S/C7H9N.2C6H5ClO/c8-6-7-4-2-1-3-5-7;2*7-5-1-3-6(8)4-2-5/h1-5H,6,8H2;2*1-4,8H
InChIKeyKPIIMLDPCCQSPV-UHFFFAOYSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

phenylmethanamine
CID 19864074
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
naphthalene-2,6-diol;phenylmethanamine
CID 11482538
naphthalene-2,6-diol;phenylmethanamine
CID 139184911
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
4-chlorophenol
CID 4684
CID 174688914
CID 174688914
chlorobenzene;phenol
CID 19771485
bis(4-chlorophenol);chromium
CID 152534645

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenol);phenylmethanamine?
The IUPAC name of bis(4-chlorophenol);phenylmethanamine (CID 70600603) is bis(4-chlorophenol);phenylmethanamine.
What is the SMILES notation for bis(4-chlorophenol);phenylmethanamine?
The canonical SMILES for bis(4-chlorophenol);phenylmethanamine is NCc1ccccc1.Oc1ccc(Cl)cc1.Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenol);phenylmethanamine?
The InChIKey is KPIIMLDPCCQSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C6H5ClO/c8-6-7-4-2-1-3-5-7;2*7-5-1-3-6(8)4-2-5/h1-5H,6,8H2;2*1-4,8H.
What are the key properties of bis(4-chlorophenol);phenylmethanamine?
bis(4-chlorophenol);phenylmethanamine has a molecular weight of 364.27 g/mol, XLogP of 5.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenol);phenylmethanamine is sourced from PubChem (CID 70600603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).