[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine

C12H17ClN2O — CID 43122244

IUPAC[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1CN(c2cccc(Cl)c2CN)CCO1
InChIInChI=1S/C12H17ClN2O/c1-9-8-15(5-6-16-9)12-4-2-3-11(13)10(12)7-14/h2-4,9H,5-8,14H2,1H3
InChIKeyDXWNZBCEBUIFIN-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.02
Rot. Bonds2

About [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine

[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine (PubChem CID 43122244) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
PubChem CID43122244
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1CN(c2cccc(Cl)c2CN)CCO1
InChIInChI=1S/C12H17ClN2O/c1-9-8-15(5-6-16-9)12-4-2-3-11(13)10(12)7-14/h2-4,9H,5-8,14H2,1H3
InChIKeyDXWNZBCEBUIFIN-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63786250
[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81205346
1-[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62973443
2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 114065916
N-[[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63071512
[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
CID 63605516
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773
2-[2-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 63784566
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
CID 63747624
2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)benzaldehyde
CID 62973418
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine (CID 43122244) is [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine is CC1CN(c2cccc(Cl)c2CN)CCO1.
What is the InChIKey of [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is DXWNZBCEBUIFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-8-15(5-6-16-9)12-4-2-3-11(13)10(12)7-14/h2-4,9H,5-8,14H2,1H3.
What are the key properties of [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine?
[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 240.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 43122244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).