N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine

C16H25FN2O — CID 62974863

IUPACN-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1N1CCCOCC1
InChIInChI=1S/C16H25FN2O/c1-3-7-18-13(2)15-12-14(17)5-6-16(15)19-8-4-10-20-11-9-19/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyDSNOZSWBSDUDIY-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.11
Rot. Bonds5

About N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine

N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 62974863) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID62974863
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1N1CCCOCC1
InChIInChI=1S/C16H25FN2O/c1-3-7-18-13(2)15-12-14(17)5-6-16(15)19-8-4-10-20-11-9-19/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyDSNOZSWBSDUDIY-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide
CID 97218256
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea
CID 86778801
N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 63534019
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
CID 43581580
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 63534160

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine (CID 62974863) is N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(F)ccc1N1CCCOCC1.
What is the InChIKey of N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is DSNOZSWBSDUDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-7-18-13(2)15-12-14(17)5-6-16(15)19-8-4-10-20-11-9-19/h5-6,12-13,18H,3-4,7-11H2,1-2H3.
What are the key properties of N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine?
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62974863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).