2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine

C12H15ClNO2- — CID 123453200

IUPAC2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
SMILES[CH2-]N1CCOC(COc2cccc(Cl)c2)C1
InChIInChI=1S/C12H15ClNO2/c1-14-5-6-15-12(8-14)9-16-11-4-2-3-10(13)7-11/h2-4,7,12H,1,5-6,8-9H2/q-1
InChIKeyONUUWPCCFSKKBX-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.21
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine

2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine (PubChem CID 123453200) has the molecular formula C12H15ClNO2- and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
PubChem CID123453200
Molecular FormulaC12H15ClNO2-
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
SMILES[CH2-]N1CCOC(COc2cccc(Cl)c2)C1
InChIInChI=1S/C12H15ClNO2/c1-14-5-6-15-12(8-14)9-16-11-4-2-3-10(13)7-11/h2-4,7,12H,1,5-6,8-9H2/q-1
InChIKeyONUUWPCCFSKKBX-UHFFFAOYSA-N
XLogP2.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine
CID 54128463
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
CID 99979834
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
N-[1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79172241
N-methyl-1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171290
1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine
CID 105156521

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine (CID 123453200) is 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine is [CH2-]N1CCOC(COc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine?
The InChIKey is ONUUWPCCFSKKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClNO2/c1-14-5-6-15-12(8-14)9-16-11-4-2-3-10(13)7-11/h2-4,7,12H,1,5-6,8-9H2/q-1.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine?
2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine has a molecular weight of 240.71 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine is sourced from PubChem (CID 123453200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).