4-ethoxy-N-(2-pyridin-4-ylethyl)aniline

C15H18N2O — CID 60719981

IUPAC4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
SMILESCCOc1ccc(NCCc2ccncc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-5-3-14(4-6-15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17H,2,9,12H2,1H3
InChIKeyCKGHHGKYRZMDRQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds6

About 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline

4-ethoxy-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 60719981) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
PubChem CID60719981
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
SMILESCCOc1ccc(NCCc2ccncc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-5-3-14(4-6-15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17H,2,9,12H2,1H3
InChIKeyCKGHHGKYRZMDRQ-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119
N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 54805794
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
CID 3050823
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214230
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
N,N-dimethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60721671

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline (CID 60719981) is 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline is CCOc1ccc(NCCc2ccncc2)cc1.
What is the InChIKey of 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is CKGHHGKYRZMDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-18-15-5-3-14(4-6-15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17H,2,9,12H2,1H3.
What are the key properties of 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline?
4-ethoxy-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 242.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 60719981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).