3-chloro-N,N-bis(methoxymethyl)aniline

C10H14ClNO2 — CID 139599847

IUPAC3-chloro-N,N-bis(methoxymethyl)aniline
SMILESCOCN(COC)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO2/c1-13-7-12(8-14-2)10-5-3-4-9(11)6-10/h3-6H,7-8H2,1-2H3
InChIKeyPGKDQJLHYHQXNI-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.35
Rot. Bonds5

About 3-chloro-N,N-bis(methoxymethyl)aniline

3-chloro-N,N-bis(methoxymethyl)aniline (PubChem CID 139599847) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-chloro-N,N-bis(methoxymethyl)aniline.

Molecular Properties

Compound Name3-chloro-N,N-bis(methoxymethyl)aniline
PubChem CID139599847
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-chloro-N,N-bis(methoxymethyl)aniline
SMILESCOCN(COC)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO2/c1-13-7-12(8-14-2)10-5-3-4-9(11)6-10/h3-6H,7-8H2,1-2H3
InChIKeyPGKDQJLHYHQXNI-UHFFFAOYSA-N
XLogP2.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(methoxymethyl)aniline?
The IUPAC name of 3-chloro-N,N-bis(methoxymethyl)aniline (CID 139599847) is 3-chloro-N,N-bis(methoxymethyl)aniline.
What is the SMILES notation for 3-chloro-N,N-bis(methoxymethyl)aniline?
The canonical SMILES for 3-chloro-N,N-bis(methoxymethyl)aniline is COCN(COC)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N,N-bis(methoxymethyl)aniline?
The InChIKey is PGKDQJLHYHQXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-13-7-12(8-14-2)10-5-3-4-9(11)6-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-chloro-N,N-bis(methoxymethyl)aniline?
3-chloro-N,N-bis(methoxymethyl)aniline has a molecular weight of 215.68 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(methoxymethyl)aniline is sourced from PubChem (CID 139599847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).