1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine

C21H22F2N2O2 — CID 55628162

IUPAC1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
SMILESCCOc1cc(CN(C)Cc2cccc3cccnc23)ccc1OC(F)F
InChIInChI=1S/C21H22F2N2O2/c1-3-26-19-12-15(9-10-18(19)27-21(22)23)13-25(2)14-17-7-4-6-16-8-5-11-24-20(16)17/h4-12,21H,3,13-14H2,1-2H3
InChIKeyBRWOKIZKDQIWEX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.87
Rot. Bonds8

About 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine

1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine (PubChem CID 55628162) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
PubChem CID55628162
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
SMILESCCOc1cc(CN(C)Cc2cccc3cccnc23)ccc1OC(F)F
InChIInChI=1S/C21H22F2N2O2/c1-3-26-19-12-15(9-10-18(19)27-21(22)23)13-25(2)14-17-7-4-6-16-8-5-11-24-20(16)17/h4-12,21H,3,13-14H2,1-2H3
InChIKeyBRWOKIZKDQIWEX-UHFFFAOYSA-N
XLogP4.87
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine (CID 55628162) is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine is CCOc1cc(CN(C)Cc2cccc3cccnc23)ccc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
The InChIKey is BRWOKIZKDQIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-3-26-19-12-15(9-10-18(19)27-21(22)23)13-25(2)14-17-7-4-6-16-8-5-11-24-20(16)17/h4-12,21H,3,13-14H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine has a molecular weight of 372.42 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 55628162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).