[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine

C26H27FN2O — CID 69286877

IUPAC[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine
SMILESCOc1cc(F)ccc1-c1ccc2c(c1-c1ccccc1)C(C)=CC(C)(C)N2CN
InChIInChI=1S/C26H27FN2O/c1-17-15-26(2,3)29(16-28)22-13-12-21(20-11-10-19(27)14-23(20)30-4)25(24(17)22)18-8-6-5-7-9-18/h5-15H,16,28H2,1-4H3
InChIKeySAOKZVXWNFVHKC-UHFFFAOYSA-N
MW402.51 g/mol
LogP6.09
Rot. Bonds4

About [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine

[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine (PubChem CID 69286877) has the molecular formula C26H27FN2O and a molecular weight of 402.51 g/mol. Its IUPAC name is [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine
PubChem CID69286877
Molecular FormulaC26H27FN2O
Molecular Weight402.51 g/mol
Exact Mass402.21
IUPAC Name[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine
SMILESCOc1cc(F)ccc1-c1ccc2c(c1-c1ccccc1)C(C)=CC(C)(C)N2CN
InChIInChI=1S/C26H27FN2O/c1-17-15-26(2,3)29(16-28)22-13-12-21(20-11-10-19(27)14-23(20)30-4)25(24(17)22)18-8-6-5-7-9-18/h5-15H,16,28H2,1-4H3
InChIKeySAOKZVXWNFVHKC-UHFFFAOYSA-N
XLogP6.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine?
The IUPAC name of [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine (CID 69286877) is [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine.
What is the SMILES notation for [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine?
The canonical SMILES for [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine is COc1cc(F)ccc1-c1ccc2c(c1-c1ccccc1)C(C)=CC(C)(C)N2CN.
What is the InChIKey of [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine?
The InChIKey is SAOKZVXWNFVHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O/c1-17-15-26(2,3)29(16-28)22-13-12-21(20-11-10-19(27)14-23(20)30-4)25(24(17)22)18-8-6-5-7-9-18/h5-15H,16,28H2,1-4H3.
What are the key properties of [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine?
[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine has a molecular weight of 402.51 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-phenylquinolin-1-yl]methanamine is sourced from PubChem (CID 69286877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).