4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine

C16H25FN2O2 — CID 114839078

IUPAC4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(Nc2ccc(F)c(OC)c2)CCO1
InChIInChI=1S/C16H25FN2O2/c1-3-4-13-10-16(11-18,7-8-21-13)19-12-5-6-14(17)15(9-12)20-2/h5-6,9,13,19H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyXTKMUZAUPJZVGU-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.92
Rot. Bonds6

About 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine

4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine (PubChem CID 114839078) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
PubChem CID114839078
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(Nc2ccc(F)c(OC)c2)CCO1
InChIInChI=1S/C16H25FN2O2/c1-3-4-13-10-16(11-18,7-8-21-13)19-12-5-6-14(17)15(9-12)20-2/h5-6,9,13,19H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyXTKMUZAUPJZVGU-UHFFFAOYSA-N
XLogP2.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
CID 114839044
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-1,1-dioxothian-3-amine
CID 114839052
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-fluoro-3-methoxyaniline
CID 106663283
4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine
CID 65377700

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine (CID 114839078) is 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine is CCCC1CC(CN)(Nc2ccc(F)c(OC)c2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine?
The InChIKey is XTKMUZAUPJZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-4-13-10-16(11-18,7-8-21-13)19-12-5-6-14(17)15(9-12)20-2/h5-6,9,13,19H,3-4,7-8,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine?
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine has a molecular weight of 296.39 g/mol, XLogP of 2.92, 6 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)-2-propyloxan-4-amine is sourced from PubChem (CID 114839078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).