[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine

C12H17FN2O — CID 115366849

IUPAC[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCCOCC2)cc1F
InChIInChI=1S/C12H17FN2O/c13-12-8-11(3-2-10(12)9-14)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7,9,14H2
InChIKeyJFZXPAYUXYVQMU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.51
Rot. Bonds2

About [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine

[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine (PubChem CID 115366849) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
PubChem CID115366849
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCCOCC2)cc1F
InChIInChI=1S/C12H17FN2O/c13-12-8-11(3-2-10(12)9-14)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7,9,14H2
InChIKeyJFZXPAYUXYVQMU-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
2-[4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 63786659
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170878920
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404
1-[2-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 55236036
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
CID 115366831
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 170885664
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-fluorophenyl]methanamine
CID 107453127
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine (CID 115366849) is [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine is NCc1ccc(N2CCCOCC2)cc1F.
What is the InChIKey of [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine?
The InChIKey is JFZXPAYUXYVQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-12-8-11(3-2-10(12)9-14)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7,9,14H2.
What are the key properties of [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine?
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine is sourced from PubChem (CID 115366849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).