5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline

C15H15Cl2NO — CID 114846581

IUPAC5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
SMILESCOc1ccccc1N(C)c1cc(Cl)ccc1CCl
InChIInChI=1S/C15H15Cl2NO/c1-18(13-5-3-4-6-15(13)19-2)14-9-12(17)8-7-11(14)10-16/h3-9H,10H2,1-2H3
InChIKeyJYOMLUNGGLLUJX-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.86
Rot. Bonds4

About 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline

5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline (PubChem CID 114846581) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
PubChem CID114846581
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
SMILESCOc1ccccc1N(C)c1cc(Cl)ccc1CCl
InChIInChI=1S/C15H15Cl2NO/c1-18(13-5-3-4-6-15(13)19-2)14-9-12(17)8-7-11(14)10-16/h3-9H,10H2,1-2H3
InChIKeyJYOMLUNGGLLUJX-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
CID 81152272
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
5-chloro-2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 114846461
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
CID 115225518
5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
CID 114850518
5-chloro-2-(chloromethyl)-N,N-bis(2-methylpropyl)aniline
CID 114846444
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
The IUPAC name of 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline (CID 114846581) is 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline is COc1ccccc1N(C)c1cc(Cl)ccc1CCl.
What is the InChIKey of 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
The InChIKey is JYOMLUNGGLLUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-18(13-5-3-4-6-15(13)19-2)14-9-12(17)8-7-11(14)10-16/h3-9H,10H2,1-2H3.
What are the key properties of 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline has a molecular weight of 296.20 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 114846581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).