2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline

C15H15Cl2NO — CID 107631106

IUPAC2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-3-5-12(16)14(7-10)18-9-11-4-6-15(19-2)13(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyBTMQGJXWYKUETJ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.92
Rot. Bonds4

About 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline

2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline (PubChem CID 107631106) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
PubChem CID107631106
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-3-5-12(16)14(7-10)18-9-11-4-6-15(19-2)13(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyBTMQGJXWYKUETJ-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82762114
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
CID 65022685
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-benzyl-2-chloro-5-methylaniline
CID 83290853
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
CID 107634326
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline (CID 107631106) is 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline is COc1ccc(CNc2cc(C)ccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline?
The InChIKey is BTMQGJXWYKUETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-3-5-12(16)14(7-10)18-9-11-4-6-15(19-2)13(17)8-11/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline?
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline has a molecular weight of 296.20 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107631106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).