ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline

C22H26N2 — CID 91559595

IUPACethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline
SMILESCC.CCCNc1ccc(-c2ncccc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2.C2H6/c1-2-14-21-18-12-10-17(11-13-18)20-19(9-6-15-22-20)16-7-4-3-5-8-16;1-2/h3-13,15,21H,2,14H2,1H3;1-2H3
InChIKeyXWKSXYFRCTWDAX-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.26
Rot. Bonds5

About ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline

ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline (PubChem CID 91559595) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline.

Molecular Properties

Compound Nameethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline
PubChem CID91559595
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Nameethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline
SMILESCC.CCCNc1ccc(-c2ncccc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2.C2H6/c1-2-14-21-18-12-10-17(11-13-18)20-19(9-6-15-22-20)16-7-4-3-5-8-16;1-2/h3-13,15,21H,2,14H2,1H3;1-2H3
InChIKeyXWKSXYFRCTWDAX-UHFFFAOYSA-N
XLogP6.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
N-propylaniline
CID 12153
2-(2-ethylphenyl)-3-phenylpyridine
CID 175810753
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168821667
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
4-(3-phenyl-2-pyridinyl)triazine
CID 171060242
N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine
CID 175335566
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline?
The IUPAC name of ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline (CID 91559595) is ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline.
What is the SMILES notation for ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline?
The canonical SMILES for ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline is CC.CCCNc1ccc(-c2ncccc2-c2ccccc2)cc1.
What is the InChIKey of ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline?
The InChIKey is XWKSXYFRCTWDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2.C2H6/c1-2-14-21-18-12-10-17(11-13-18)20-19(9-6-15-22-20)16-7-4-3-5-8-16;1-2/h3-13,15,21H,2,14H2,1H3;1-2H3.
What are the key properties of ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline?
ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline has a molecular weight of 318.46 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-phenyl-2-pyridinyl)-N-propylaniline is sourced from PubChem (CID 91559595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).