2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline

C10H14ClNO2 — CID 115258388

IUPAC2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline
SMILESCOCN(C)c1ccc(OC)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-12(7-13-2)10-5-4-8(14-3)6-9(10)11/h4-6H,7H2,1-3H3
InChIKeyXSCHWINUIPPFBF-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline

2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline (PubChem CID 115258388) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline
PubChem CID115258388
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline
SMILESCOCN(C)c1ccc(OC)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-12(7-13-2)10-5-4-8(14-3)6-9(10)11/h4-6H,7H2,1-3H3
InChIKeyXSCHWINUIPPFBF-UHFFFAOYSA-N
XLogP2.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-4-methoxy-N-methylaniline
CID 115259322
3-N-(2-chloro-4-methoxyphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119564
4-amino-1-(2-chloro-4-methoxy-N-methylanilino)butan-2-ol
CID 117039121
2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131795
1-[(2-chloro-4-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245166
5-[(2-chloro-4-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
CID 117038673
2-chloro-4-methoxy-N-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210675
N-(2-chloro-4-methoxyphenyl)-1-cyano-N-methylformamide
CID 115172032
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide
CID 115157803
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
2-chloro-4-methoxy-1-methylbenzene
CID 6951757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline?
The IUPAC name of 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline (CID 115258388) is 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline.
What is the SMILES notation for 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline?
The canonical SMILES for 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline is COCN(C)c1ccc(OC)cc1Cl.
What is the InChIKey of 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline?
The InChIKey is XSCHWINUIPPFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-12(7-13-2)10-5-4-8(14-3)6-9(10)11/h4-6H,7H2,1-3H3.
What are the key properties of 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline?
2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline has a molecular weight of 215.68 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline is sourced from PubChem (CID 115258388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).