2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline

C14H13Cl2N — CID 114251746

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccccc2Cl)c1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-5-4-8-13(14(10)16)17-9-11-6-2-3-7-12(11)15/h2-8,17H,9H2,1H3
InChIKeyPXBIQIVXCOOSDA-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.91
Rot. Bonds3

About 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline

2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline (PubChem CID 114251746) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
PubChem CID114251746
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccccc2Cl)c1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-5-4-8-13(14(10)16)17-9-11-6-2-3-7-12(11)15/h2-8,17H,9H2,1H3
InChIKeyPXBIQIVXCOOSDA-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
CID 114251709
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114075281
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methylaniline
CID 114251751
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-chloro-6-[(2-chlorophenyl)methylamino]benzenecarbothioamide
CID 62500756
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline (CID 114251746) is 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline is Cc1cccc(NCc2ccccc2Cl)c1Cl.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline?
The InChIKey is PXBIQIVXCOOSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10-5-4-8-13(14(10)16)17-9-11-6-2-3-7-12(11)15/h2-8,17H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline?
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline has a molecular weight of 266.17 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline is sourced from PubChem (CID 114251746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).