(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine

C13H19ClN2O2 — CID 79699140

IUPAC(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
SMILESCOc1cc(C(N)C2CN(C)CCO2)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-16-5-6-18-12(8-16)13(15)9-3-4-10(14)11(7-9)17-2/h3-4,7,12-13H,5-6,8,15H2,1-2H3
InChIKeyQVYJYVHKDUJSIX-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.68
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine

(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79699140) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
PubChem CID79699140
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
SMILESCOc1cc(C(N)C2CN(C)CCO2)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-16-5-6-18-12(8-16)13(15)9-3-4-10(14)11(7-9)17-2/h3-4,7,12-13H,5-6,8,15H2,1-2H3
InChIKeyQVYJYVHKDUJSIX-UHFFFAOYSA-N
XLogP1.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
(4-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093138
(4-fluorophenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093624
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
[(4-chloro-3-methoxyphenyl)-(4-ethylmorpholin-2-yl)methyl]hydrazine
CID 105247506
(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544706
(4-ethylmorpholin-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 79667211
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanamine
CID 114657180
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671
1-[3-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79166369
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine
CID 106601230

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine (CID 79699140) is (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine is COc1cc(C(N)C2CN(C)CCO2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is QVYJYVHKDUJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16-5-6-18-12(8-16)13(15)9-3-4-10(14)11(7-9)17-2/h3-4,7,12-13H,5-6,8,15H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 270.76 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79699140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).