3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline

C16H20N2 — CID 60719749

IUPAC3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
SMILESCC(C)c1cccc(NCCc2ccccn2)c1
InChIInChI=1S/C16H20N2/c1-13(2)14-6-5-8-16(12-14)18-11-9-15-7-3-4-10-17-15/h3-8,10,12-13,18H,9,11H2,1-2H3
InChIKeyJIIFSUNLVUVLMA-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.86
Rot. Bonds5

About 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline

3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 60719749) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID60719749
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
SMILESCC(C)c1cccc(NCCc2ccccn2)c1
InChIInChI=1S/C16H20N2/c1-13(2)14-6-5-8-16(12-14)18-11-9-15-7-3-4-10-17-15/h3-8,10,12-13,18H,9,11H2,1-2H3
InChIKeyJIIFSUNLVUVLMA-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
2-(3-propan-2-ylanilino)ethanol
CID 28973580
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline
CID 112650045
5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 112646911
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
N-[2-(2-nitrophenyl)ethyl]-3-propan-2-ylaniline
CID 63062607
4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 115265848
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline (CID 60719749) is 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline is CC(C)c1cccc(NCCc2ccccn2)c1.
What is the InChIKey of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is JIIFSUNLVUVLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(2)14-6-5-8-16(12-14)18-11-9-15-7-3-4-10-17-15/h3-8,10,12-13,18H,9,11H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline?
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 240.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 60719749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).