[4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine

C14H21ClN2O2 — CID 81218468

IUPAC[4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine
SMILESCOc1ccc(Cl)cc1CN1CC(CN)OCC1C
InChIInChI=1S/C14H21ClN2O2/c1-10-9-19-13(6-16)8-17(10)7-11-5-12(15)3-4-14(11)18-2/h3-5,10,13H,6-9,16H2,1-2H3
InChIKeyNYIQXSIWYIQCMC-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.90
Rot. Bonds4

About [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine

[4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine (PubChem CID 81218468) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine
PubChem CID81218468
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name[4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine
SMILESCOc1ccc(Cl)cc1CN1CC(CN)OCC1C
InChIInChI=1S/C14H21ClN2O2/c1-10-9-19-13(6-16)8-17(10)7-11-5-12(15)3-4-14(11)18-2/h3-5,10,13H,6-9,16H2,1-2H3
InChIKeyNYIQXSIWYIQCMC-UHFFFAOYSA-N
XLogP1.90
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340989
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
4-[(4-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)-5-methylmorpholine
CID 114859370
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
1-[(5-chloro-2-methoxyphenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035987
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 81211614

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine (CID 81218468) is [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine is COc1ccc(Cl)cc1CN1CC(CN)OCC1C.
What is the InChIKey of [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine?
The InChIKey is NYIQXSIWYIQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-9-19-13(6-16)8-17(10)7-11-5-12(15)3-4-14(11)18-2/h3-5,10,13H,6-9,16H2,1-2H3.
What are the key properties of [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine?
[4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine has a molecular weight of 284.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-methoxyphenyl)methyl]-5-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 81218468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).