4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine

C13H19FN2O2 — CID 114839044

IUPAC4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
SMILESCOc1cc(NC2(CN)CCOCC2)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-17-12-8-10(2-3-11(12)14)16-13(9-15)4-6-18-7-5-13/h2-3,8,16H,4-7,9,15H2,1H3
InChIKeyMTSNFJMCGZXUNZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.75
Rot. Bonds4

About 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine

4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine (PubChem CID 114839044) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
PubChem CID114839044
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
SMILESCOc1cc(NC2(CN)CCOCC2)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-17-12-8-10(2-3-11(12)14)16-13(9-15)4-6-18-7-5-13/h2-3,8,16H,4-7,9,15H2,1H3
InChIKeyMTSNFJMCGZXUNZ-UHFFFAOYSA-N
XLogP1.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
CID 114839078
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-1,1-dioxothian-3-amine
CID 114839052
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
4-(aminomethyl)-N-(4-chlorophenyl)oxepan-4-amine
CID 65383827
4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
CID 106298388
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-fluoro-3-methoxyaniline
CID 106663283
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 114839118
4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine
CID 114252667
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine (CID 114839044) is 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine is COc1cc(NC2(CN)CCOCC2)ccc1F.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine?
The InChIKey is MTSNFJMCGZXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-17-12-8-10(2-3-11(12)14)16-13(9-15)4-6-18-7-5-13/h2-3,8,16H,4-7,9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine?
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine is sourced from PubChem (CID 114839044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).