4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline

C25H24N2O — CID 142806094

IUPAC4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline
SMILESCC(C)c1cc(-c2cccc(OCc3ccc(N)cc3)c2)c2ncccc2c1
InChIInChI=1S/C25H24N2O/c1-17(2)21-13-20-6-4-12-27-25(20)24(15-21)19-5-3-7-23(14-19)28-16-18-8-10-22(26)11-9-18/h3-15,17H,16,26H2,1-2H3
InChIKeyFDBVEEPWFLTLJI-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.19
Rot. Bonds5

About 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline

4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline (PubChem CID 142806094) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline.

Molecular Properties

Compound Name4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline
PubChem CID142806094
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline
SMILESCC(C)c1cc(-c2cccc(OCc3ccc(N)cc3)c2)c2ncccc2c1
InChIInChI=1S/C25H24N2O/c1-17(2)21-13-20-6-4-12-27-25(20)24(15-21)19-5-3-7-23(14-19)28-16-18-8-10-22(26)11-9-18/h3-15,17H,16,26H2,1-2H3
InChIKeyFDBVEEPWFLTLJI-UHFFFAOYSA-N
XLogP6.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]benzoic acid
CID 10309647
hydroxy-dimethyl-[4-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methoxy]phenyl]-λ4-sulfane
CID 10288042
8-phenyl-6-propan-2-ylquinoline
CID 15295265
propan-2-yl 4-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methoxy]benzoate
CID 69019756
6-propan-2-yl-8-[3-[[2-(prop-1-en-2-ylsulfonylmethyl)phenyl]methoxy]phenyl]quinoline;prop-1-ene
CID 142806109
8-[3-(phenylsulfanylmethyl)phenyl]-6-propan-2-ylquinoline
CID 10215723
2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine
CID 67565105
8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride
CID 19381182
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate
CID 23202313
2-(4-methylsulfonylphenyl)-1-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethanamine
CID 67565073
2-methyl-4-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylbutan-2-ol
CID 20814950

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline?
The IUPAC name of 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline (CID 142806094) is 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline.
What is the SMILES notation for 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline?
The canonical SMILES for 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline is CC(C)c1cc(-c2cccc(OCc3ccc(N)cc3)c2)c2ncccc2c1.
What is the InChIKey of 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline?
The InChIKey is FDBVEEPWFLTLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17(2)21-13-20-6-4-12-27-25(20)24(15-21)19-5-3-7-23(14-19)28-16-18-8-10-22(26)11-9-18/h3-15,17H,16,26H2,1-2H3.
What are the key properties of 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline?
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline has a molecular weight of 368.48 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline is sourced from PubChem (CID 142806094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).