N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine

C16H25FN2O2 — CID 115955088

IUPACN-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(F)c1OCCN1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-13(2)18-12-14-4-3-5-15(17)16(14)21-11-8-19-6-9-20-10-7-19/h3-5,13,18H,6-12H2,1-2H3
InChIKeyWHTIIGIJSVFGKJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.03
Rot. Bonds7

About N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine

N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 115955088) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID115955088
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(F)c1OCCN1CCOCC1
InChIInChI=1S/C16H25FN2O2/c1-13(2)18-12-14-4-3-5-15(17)16(14)21-11-8-19-6-9-20-10-7-19/h3-5,13,18H,6-12H2,1-2H3
InChIKeyWHTIIGIJSVFGKJ-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 115952490
N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955059
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
N-[[3-fluoro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999952
N-[[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610674
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
CID 112612211
[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037
N-[[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115955092
5-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylpentanenitrile
CID 115955004
4-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 115955089

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine (CID 115955088) is N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(F)c1OCCN1CCOCC1.
What is the InChIKey of N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is WHTIIGIJSVFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-13(2)18-12-14-4-3-5-15(17)16(14)21-11-8-19-6-9-20-10-7-19/h3-5,13,18H,6-12H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 296.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115955088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).