1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine

C14H21FN2O — CID 63795074

IUPAC1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(16)9-12-3-4-14(13(15)10-12)17-5-2-7-18-8-6-17/h3-4,10-11H,2,5-9,16H2,1H3
InChIKeyOKENXLOALDWQMK-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.94
Rot. Bonds3

About 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine

1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine (PubChem CID 63795074) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
PubChem CID63795074
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(16)9-12-3-4-14(13(15)10-12)17-5-2-7-18-8-6-17/h3-4,10-11H,2,5-9,16H2,1H3
InChIKeyOKENXLOALDWQMK-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 63795228
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol
CID 117347394
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
1-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974495
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine (CID 63795074) is 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCCOCC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
The InChIKey is OKENXLOALDWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(16)9-12-3-4-14(13(15)10-12)17-5-2-7-18-8-6-17/h3-4,10-11H,2,5-9,16H2,1H3.
What are the key properties of 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine has a molecular weight of 252.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63795074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).