1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine

C16H17Cl2NO — CID 44563206

IUPAC1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-11-8-14(6-7-15(11)18)20-16-9-13(17)5-4-12(16)10-19-2/h4-9,19H,3,10H2,1-2H3
InChIKeyFAHALPZKMLQCNC-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.07
Rot. Bonds5

About 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 44563206) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine
PubChem CID44563206
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-11-8-14(6-7-15(11)18)20-16-9-13(17)5-4-12(16)10-19-2/h4-9,19H,3,10H2,1-2H3
InChIKeyFAHALPZKMLQCNC-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine (CID 44563206) is 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine is CCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl.
What is the InChIKey of 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is FAHALPZKMLQCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-11-8-14(6-7-15(11)18)20-16-9-13(17)5-4-12(16)10-19-2/h4-9,19H,3,10H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 310.22 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 44563206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).