2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline

C15H15Cl2NO — CID 81152272

IUPAC2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
SMILESCOc1ccccc1N(C)c1ccc(CCl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-18(14-5-3-4-6-15(14)19-2)13-8-7-11(10-16)9-12(13)17/h3-9H,10H2,1-2H3
InChIKeyNKTFNBJWPZKMHW-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.86
Rot. Bonds4

About 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline

2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline (PubChem CID 81152272) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
PubChem CID81152272
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
SMILESCOc1ccccc1N(C)c1ccc(CCl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-18(14-5-3-4-6-15(14)19-2)13-8-7-11(10-16)9-12(13)17/h3-9H,10H2,1-2H3
InChIKeyNKTFNBJWPZKMHW-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

5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
CID 114846581
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263145
2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 81151857
1-chloro-2-methoxybenzene
CID 13011
2-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 81151535
2-chloro-4-(chloromethyl)-N-methyl-N-pentan-2-ylaniline
CID 81151954
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
N-iodo-2-methoxy-N-methylaniline
CID 153134478
N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20766140
3,5-dichloro-6-hydrazinyl-N-(2-methoxyphenyl)-N-methylpyridin-2-amine
CID 102761927
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
CID 81151607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline (CID 81152272) is 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline is COc1ccccc1N(C)c1ccc(CCl)cc1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
The InChIKey is NKTFNBJWPZKMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-18(14-5-3-4-6-15(14)19-2)13-8-7-11(10-16)9-12(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline?
2-chloro-4-(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 2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 81152272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).