N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine

C16H25FN2O2 — CID 107687677

IUPACN-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-12(2)18-9-13-4-5-16(15(17)8-13)21-11-14-10-19(3)6-7-20-14/h4-5,8,12,14,18H,6-7,9-11H2,1-3H3
InChIKeyBDAQNZYUFBVNNV-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.03
Rot. Bonds6

About N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine

N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 107687677) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID107687677
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-12(2)18-9-13-4-5-16(15(17)8-13)21-11-14-10-19(3)6-7-20-14/h4-5,8,12,14,18H,6-7,9-11H2,1-3H3
InChIKeyBDAQNZYUFBVNNV-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 79166000
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107693270
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
1-[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 79172273
N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79164229
1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 79886928
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
N-ethyl-1-[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171207
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine (CID 107687677) is N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCC2CN(C)CCO2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is BDAQNZYUFBVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-12(2)18-9-13-4-5-16(15(17)8-13)21-11-14-10-19(3)6-7-20-14/h4-5,8,12,14,18H,6-7,9-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 296.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107687677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).