2-ethyl-4-(2-methylnaphthalen-1-yl)aniline

C19H19N — CID 81432895

IUPAC2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
SMILESCCc1cc(-c2c(C)ccc3ccccc23)ccc1N
InChIInChI=1S/C19H19N/c1-3-14-12-16(10-11-18(14)20)19-13(2)8-9-15-6-4-5-7-17(15)19/h4-12H,3,20H2,1-2H3
InChIKeyIPUZBWVOHTTWRZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.96
Rot. Bonds2

About 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline

2-ethyl-4-(2-methylnaphthalen-1-yl)aniline (PubChem CID 81432895) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
PubChem CID81432895
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
SMILESCCc1cc(-c2c(C)ccc3ccccc23)ccc1N
InChIInChI=1S/C19H19N/c1-3-14-12-16(10-11-18(14)20)19-13(2)8-9-15-6-4-5-7-17(15)19/h4-12H,3,20H2,1-2H3
InChIKeyIPUZBWVOHTTWRZ-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline?
The IUPAC name of 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline (CID 81432895) is 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline.
What is the SMILES notation for 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline?
The canonical SMILES for 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline is CCc1cc(-c2c(C)ccc3ccccc23)ccc1N.
What is the InChIKey of 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline?
The InChIKey is IPUZBWVOHTTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-3-14-12-16(10-11-18(14)20)19-13(2)8-9-15-6-4-5-7-17(15)19/h4-12H,3,20H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline?
2-ethyl-4-(2-methylnaphthalen-1-yl)aniline has a molecular weight of 261.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylnaphthalen-1-yl)aniline is sourced from PubChem (CID 81432895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).