1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine

Name: 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₂Cl₃NO — CID 44563242

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine

SMILESCNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1

InChIInChI=1S/C14H12Cl3NO/c1-18-8-9-6-10(15)2-5-14(9)19-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3

InChIKeyMRDDAOFLRIQUHE-UHFFFAOYSA-N

MW316.62 g/mol

LogP5.16

Rot. Bonds4

About 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine

1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 44563242) has the molecular formula C₁₄H₁₂Cl₃NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name	1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
PubChem CID	44563242
Molecular Formula	C₁₄H₁₂Cl₃NO
Molecular Weight	316.62 g/mol
Exact Mass	315.00
IUPAC Name	1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
SMILES	CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C14H12Cl3NO/c1-18-8-9-6-10(15)2-5-14(9)19-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3
InChIKey	MRDDAOFLRIQUHE-UHFFFAOYSA-N
XLogP	5.16
TPSA	21.26 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	316.62
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?

The IUPAC name of 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine (CID 44563242) is 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine.

What is the SMILES notation for 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?

The canonical SMILES for 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?

The InChIKey is MRDDAOFLRIQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-18-8-9-6-10(15)2-5-14(9)19-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3.

What are the key properties of 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?

1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 316.62 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 44563242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 44563242 — identifiers, structure, computed properties (public domain)

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