[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine

C13H19ClN2O2 — CID 112607579

IUPAC[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
SMILESCN1CCOC(COc2c(Cl)cccc2CN)C1
InChIInChI=1S/C13H19ClN2O2/c1-16-5-6-17-11(8-16)9-18-13-10(7-15)3-2-4-12(13)14/h2-4,11H,5-9,15H2,1H3
InChIKeyVCXKWTBKATWXPC-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.51
Rot. Bonds4

About [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine

[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine (PubChem CID 112607579) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
PubChem CID112607579
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
SMILESCN1CCOC(COc2c(Cl)cccc2CN)C1
InChIInChI=1S/C13H19ClN2O2/c1-16-5-6-17-11(8-16)9-18-13-10(7-15)3-2-4-12(13)14/h2-4,11H,5-9,15H2,1H3
InChIKeyVCXKWTBKATWXPC-UHFFFAOYSA-N
XLogP1.51
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 112612743
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
2-[3,5-dichloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182988
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
1-[3-methoxy-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79172506
2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol
CID 102567713
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 79171162
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979731
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine (CID 112607579) is [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine is CN1CCOC(COc2c(Cl)cccc2CN)C1.
What is the InChIKey of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine?
The InChIKey is VCXKWTBKATWXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16-5-6-17-11(8-16)9-18-13-10(7-15)3-2-4-12(13)14/h2-4,11H,5-9,15H2,1H3.
What are the key properties of [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine?
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine has a molecular weight of 270.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).