2-[(4-ethylphenyl)methyl]aniline

C15H17N — CID 11572028

IUPAC2-[(4-ethylphenyl)methyl]aniline
SMILESCCc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C15H17N/c1-2-12-7-9-13(10-8-12)11-14-5-3-4-6-15(14)16/h3-10H,2,11,16H2,1H3
InChIKeyFODKJHAEYSDVMY-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.42
Rot. Bonds3

About 2-[(4-ethylphenyl)methyl]aniline

2-[(4-ethylphenyl)methyl]aniline (PubChem CID 11572028) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]aniline
PubChem CID11572028
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2-[(4-ethylphenyl)methyl]aniline
SMILESCCc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C15H17N/c1-2-12-7-9-13(10-8-12)11-14-5-3-4-6-15(14)16/h3-10H,2,11,16H2,1H3
InChIKeyFODKJHAEYSDVMY-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
methanamine;2-[(4-phenylphenyl)methyl]aniline
CID 144956661
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
acetic acid;2-benzylaniline
CID 174872932
4-[(2-aminophenyl)methyl]benzoic acid
CID 22360767
4-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 96612961
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
1-benzyl-4-ethylbenzene;methane
CID 144571765
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
[4-[(2-aminophenyl)methyl]phenyl]urea
CID 139902177

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]aniline?
The IUPAC name of 2-[(4-ethylphenyl)methyl]aniline (CID 11572028) is 2-[(4-ethylphenyl)methyl]aniline.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]aniline?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]aniline is CCc1ccc(Cc2ccccc2N)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]aniline?
The InChIKey is FODKJHAEYSDVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-12-7-9-13(10-8-12)11-14-5-3-4-6-15(14)16/h3-10H,2,11,16H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]aniline?
2-[(4-ethylphenyl)methyl]aniline has a molecular weight of 211.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]aniline is sourced from PubChem (CID 11572028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).