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

C16H23FN2O2 — CID 120926401

IUPAC4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C16H23FN2O2/c1-19(9-6-13-2-4-14(17)5-3-13)15(20)16(12-18)7-10-21-11-8-16/h2-5H,6-12,18H2,1H3
InChIKeyWVDXKCLOHMPBCQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.58
Rot. Bonds5

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

4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide (PubChem CID 120926401) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
PubChem CID120926401
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C16H23FN2O2/c1-19(9-6-13-2-4-14(17)5-3-13)15(20)16(12-18)7-10-21-11-8-16/h2-5H,6-12,18H2,1H3
InChIKeyWVDXKCLOHMPBCQ-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400
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
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115182798
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
CID 120927235
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide (CID 120926401) is 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide is CN(CCc1ccc(F)cc1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
The InChIKey is WVDXKCLOHMPBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-19(9-6-13-2-4-14(17)5-3-13)15(20)16(12-18)7-10-21-11-8-16/h2-5H,6-12,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide?
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 120926401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).