4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide

C16H23FN2O3 — CID 120920103

IUPAC4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C16H23FN2O3/c1-19(8-11-22-14-4-2-13(17)3-5-14)15(20)16(12-18)6-9-21-10-7-16/h2-5H,6-12,18H2,1H3
InChIKeyXSGOMWGMKYZBTL-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.42
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide

4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide (PubChem CID 120920103) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
PubChem CID120920103
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C16H23FN2O3/c1-19(8-11-22-14-4-2-13(17)3-5-14)15(20)16(12-18)6-9-21-10-7-16/h2-5H,6-12,18H2,1H3
InChIKeyXSGOMWGMKYZBTL-UHFFFAOYSA-N
XLogP1.42
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119689145
1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115448098
4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66248870
4-(aminomethyl)-N-[2-(4-bromophenoxy)ethyl]-N-ethyloxane-4-carboxamide
CID 120935339
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
CID 115185772
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930723

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide (CID 120920103) is 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide?
The InChIKey is XSGOMWGMKYZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-19(8-11-22-14-4-2-13(17)3-5-14)15(20)16(12-18)6-9-21-10-7-16/h2-5H,6-12,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide?
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 120920103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).