2-chloro-4-methyl-N-(2-phenylethyl)aniline

C15H16ClN — CID 28876975

IUPAC2-chloro-4-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(NCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClN/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyFMZSEAAJAGJOCR-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.30
Rot. Bonds4

About 2-chloro-4-methyl-N-(2-phenylethyl)aniline

2-chloro-4-methyl-N-(2-phenylethyl)aniline (PubChem CID 28876975) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-phenylethyl)aniline
PubChem CID28876975
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-chloro-4-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(NCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClN/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyFMZSEAAJAGJOCR-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 2-chloro-4-methyl-N-(2-phenylethyl)aniline (CID 28876975) is 2-chloro-4-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-chloro-4-methyl-N-(2-phenylethyl)aniline is Cc1ccc(NCCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-phenylethyl)aniline?
The InChIKey is FMZSEAAJAGJOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(2-phenylethyl)aniline?
2-chloro-4-methyl-N-(2-phenylethyl)aniline has a molecular weight of 245.75 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 28876975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).