[3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine

C14H13Cl2NO — CID 82039672

IUPAC[3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine
SMILESCOc1c(Cl)cc(Cl)cc1-c1cccc(CN)c1
InChIInChI=1S/C14H13Cl2NO/c1-18-14-12(6-11(15)7-13(14)16)10-4-2-3-9(5-10)8-17/h2-7H,8,17H2,1H3
InChIKeySKCPPRFUKQKYMT-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.13
Rot. Bonds3

About [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine

[3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine (PubChem CID 82039672) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine
PubChem CID82039672
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine
SMILESCOc1c(Cl)cc(Cl)cc1-c1cccc(CN)c1
InChIInChI=1S/C14H13Cl2NO/c1-18-14-12(6-11(15)7-13(14)16)10-4-2-3-9(5-10)8-17/h2-7H,8,17H2,1H3
InChIKeySKCPPRFUKQKYMT-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine?
The IUPAC name of [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine (CID 82039672) is [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine.
What is the SMILES notation for [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine?
The canonical SMILES for [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine is COc1c(Cl)cc(Cl)cc1-c1cccc(CN)c1.
What is the InChIKey of [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine?
The InChIKey is SKCPPRFUKQKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-18-14-12(6-11(15)7-13(14)16)10-4-2-3-9(5-10)8-17/h2-7H,8,17H2,1H3.
What are the key properties of [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine?
[3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine has a molecular weight of 282.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dichloro-2-methoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 82039672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).