N-[(2-ethylphenyl)methyl]-3-methylaniline

C16H19N — CID 21444100

IUPACN-[(2-ethylphenyl)methyl]-3-methylaniline
SMILESCCc1ccccc1CNc1cccc(C)c1
InChIInChI=1S/C16H19N/c1-3-14-8-4-5-9-15(14)12-17-16-10-6-7-13(2)11-16/h4-11,17H,3,12H2,1-2H3
InChIKeyZKBFBLFESOABKB-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.17
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-3-methylaniline

N-[(2-ethylphenyl)methyl]-3-methylaniline (PubChem CID 21444100) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3-methylaniline
PubChem CID21444100
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC NameN-[(2-ethylphenyl)methyl]-3-methylaniline
SMILESCCc1ccccc1CNc1cccc(C)c1
InChIInChI=1S/C16H19N/c1-3-14-8-4-5-9-15(14)12-17-16-10-6-7-13(2)11-16/h4-11,17H,3,12H2,1-2H3
InChIKeyZKBFBLFESOABKB-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-N-[(2-methyl-3-pyridinyl)methyl]aniline
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N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
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N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 55118736
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3-methylaniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3-methylaniline (CID 21444100) is N-[(2-ethylphenyl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3-methylaniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3-methylaniline is CCc1ccccc1CNc1cccc(C)c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3-methylaniline?
The InChIKey is ZKBFBLFESOABKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-14-8-4-5-9-15(14)12-17-16-10-6-7-13(2)11-16/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-3-methylaniline?
N-[(2-ethylphenyl)methyl]-3-methylaniline has a molecular weight of 225.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 21444100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).