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

C15H16ClNO — CID 43283415

IUPAC1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C15H16ClNO/c1-11-9-13(16)7-8-14(11)18-15-6-4-3-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
InChIKeySXCVOEWVYRDQSX-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.16
Rot. Bonds4

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

1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 43283415) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
PubChem CID43283415
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C15H16ClNO/c1-11-9-13(16)7-8-14(11)18-15-6-4-3-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
InChIKeySXCVOEWVYRDQSX-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine (CID 43283415) is 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ccc(Cl)cc1C.
What is the InChIKey of 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is SXCVOEWVYRDQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-9-13(16)7-8-14(11)18-15-6-4-3-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 261.75 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43283415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).