4-[(4-ethylphenyl)methyl]aniline

C15H17N — CID 39242922

IUPAC4-[(4-ethylphenyl)methyl]aniline
SMILESCCc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C15H17N/c1-2-12-3-5-13(6-4-12)11-14-7-9-15(16)10-8-14/h3-10H,2,11,16H2,1H3
InChIKeyHNRMNPACPGIEKD-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.42
Rot. Bonds3

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

4-[(4-ethylphenyl)methyl]aniline (PubChem CID 39242922) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methyl]aniline
PubChem CID39242922
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-[(4-ethylphenyl)methyl]aniline
SMILESCCc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C15H17N/c1-2-12-3-5-13(6-4-12)11-14-7-9-15(16)10-8-14/h3-10H,2,11,16H2,1H3
InChIKeyHNRMNPACPGIEKD-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethylaniline;hydrobromide
CID 86059477
4-[(4-aminophenyl)methyl]aniline;bis(4-ethylphenol)
CID 157077218
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methyl]aniline?
The IUPAC name of 4-[(4-ethylphenyl)methyl]aniline (CID 39242922) is 4-[(4-ethylphenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-ethylphenyl)methyl]aniline?
The canonical SMILES for 4-[(4-ethylphenyl)methyl]aniline is CCc1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methyl]aniline?
The InChIKey is HNRMNPACPGIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-12-3-5-13(6-4-12)11-14-7-9-15(16)10-8-14/h3-10H,2,11,16H2,1H3.
What are the key properties of 4-[(4-ethylphenyl)methyl]aniline?
4-[(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 4-[(4-ethylphenyl)methyl]aniline is sourced from PubChem (CID 39242922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).