4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine

C12H17FN2O — CID 65376671

IUPAC4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
SMILESNCC1(Nc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C12H17FN2O/c13-10-1-3-11(4-2-10)15-12(9-14)5-7-16-8-6-12/h1-4,15H,5-9,14H2
InChIKeyGWEROVKQWLGCSR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.75
Rot. Bonds3

About 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine

4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine (PubChem CID 65376671) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
PubChem CID65376671
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
SMILESNCC1(Nc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C12H17FN2O/c13-10-1-3-11(4-2-10)15-12(9-14)5-7-16-8-6-12/h1-4,15H,5-9,14H2
InChIKeyGWEROVKQWLGCSR-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
CID 106298388
4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
CID 105480872
4-(aminomethyl)-N-(4-chlorophenyl)oxepan-4-amine
CID 65383827
4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
CID 65377702
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
CID 114839044
4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine
CID 65377700
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234
3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine
CID 105480875
4-(4-fluoroanilino)oxane-4-carbonitrile
CID 60986746
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine (CID 65376671) is 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine is NCC1(Nc2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine?
The InChIKey is GWEROVKQWLGCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-1-3-11(4-2-10)15-12(9-14)5-7-16-8-6-12/h1-4,15H,5-9,14H2.
What are the key properties of 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine?
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine has a molecular weight of 224.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine is sourced from PubChem (CID 65376671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).