[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine

C15H16ClNO2 — CID 39224806

IUPAC[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
SMILESCOc1cc(-c2ccccc2Cl)cc(CN)c1OC
InChIInChI=1S/C15H16ClNO2/c1-18-14-8-10(7-11(9-17)15(14)19-2)12-5-3-4-6-13(12)16/h3-8H,9,17H2,1-2H3
InChIKeyCWKLESIIZLWJPR-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.48
Rot. Bonds4

About [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine

[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine (PubChem CID 39224806) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
PubChem CID39224806
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
SMILESCOc1cc(-c2ccccc2Cl)cc(CN)c1OC
InChIInChI=1S/C15H16ClNO2/c1-18-14-8-10(7-11(9-17)15(14)19-2)12-5-3-4-6-13(12)16/h3-8H,9,17H2,1-2H3
InChIKeyCWKLESIIZLWJPR-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine (CID 39224806) is [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine is COc1cc(-c2ccccc2Cl)cc(CN)c1OC.
What is the InChIKey of [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine?
The InChIKey is CWKLESIIZLWJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-14-8-10(7-11(9-17)15(14)19-2)12-5-3-4-6-13(12)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine?
[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine has a molecular weight of 277.75 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine is sourced from PubChem (CID 39224806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).