4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline

C16H20N2O — CID 60863119

IUPAC4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(C)Oc1ccc(NCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O/c1-13(2)19-16-5-3-15(4-6-16)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3
InChIKeyZOMQKCOCHQPYBR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.52
Rot. Bonds6

About 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline

4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 60863119) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
PubChem CID60863119
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(C)Oc1ccc(NCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O/c1-13(2)19-16-5-3-15(4-6-16)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3
InChIKeyZOMQKCOCHQPYBR-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.52
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

N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
CID 60719981
4-propan-2-yloxypyridine
CID 4527576
1-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethyl)thiourea
CID 58752930
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112921346
2,2-dimethyl-N-(4-propan-2-yloxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963735
2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873618
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807029
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913375

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline (CID 60863119) is 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline is CC(C)Oc1ccc(NCCc2ccncc2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is ZOMQKCOCHQPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(2)19-16-5-3-15(4-6-16)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline?
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 60863119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).