2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline

C16H18ClNO — CID 55192756

IUPAC2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cc(C)ccc2C)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-5-12(2)13(8-11)10-18-16-9-14(19-3)6-7-15(16)17/h4-9,18H,10H2,1-3H3
InChIKeyKPMIZZBEUCPLMP-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.58
Rot. Bonds4

About 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline

2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline (PubChem CID 55192756) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
PubChem CID55192756
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cc(C)ccc2C)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-5-12(2)13(8-11)10-18-16-9-14(19-3)6-7-15(16)17/h4-9,18H,10H2,1-3H3
InChIKeyKPMIZZBEUCPLMP-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline?
The IUPAC name of 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline (CID 55192756) is 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline is COc1ccc(Cl)c(NCc2cc(C)ccc2C)c1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline?
The InChIKey is KPMIZZBEUCPLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-5-12(2)13(8-11)10-18-16-9-14(19-3)6-7-15(16)17/h4-9,18H,10H2,1-3H3.
What are the key properties of 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline?
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline has a molecular weight of 275.78 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 55192756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).