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

C16H26N2O2 — CID 79166000

IUPACN-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC2CN(C)CCO2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)17-10-14-4-6-15(7-5-14)20-12-16-11-18(3)8-9-19-16/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyRIMROMIYKYBJBO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.89
Rot. Bonds6

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

N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 79166000) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID79166000
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC2CN(C)CCO2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)17-10-14-4-6-15(7-5-14)20-12-16-11-18(3)8-9-19-16/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyRIMROMIYKYBJBO-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687677
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418
N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79171845
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
N-methyl-1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171290
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
2-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]-4-methylmorpholine
CID 79182986
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79165728
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine (CID 79166000) is N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCC2CN(C)CCO2)cc1.
What is the InChIKey of N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is RIMROMIYKYBJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)17-10-14-4-6-15(7-5-14)20-12-16-11-18(3)8-9-19-16/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79166000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).