1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine

C14H14ClNO — CID 43282996

IUPAC1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO/c1-16-10-11-4-2-3-5-14(11)17-13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3
InChIKeyRIJHAFWKICFLDW-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.85
Rot. Bonds4

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

1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 43282996) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine
PubChem CID43282996
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO/c1-16-10-11-4-2-3-5-14(11)17-13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3
InChIKeyRIJHAFWKICFLDW-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine (CID 43282996) is 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is RIJHAFWKICFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-16-10-11-4-2-3-5-14(11)17-13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine?
1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 247.73 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43282996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).