4-[4-(chloromethyl)phenyl]morpholine

C11H14ClNO — CID 28946202

IUPAC4-[4-(chloromethyl)phenyl]morpholine
SMILESClCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H14ClNO/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyVXXBDVPJUQJQIS-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.26
Rot. Bonds2

About 4-[4-(chloromethyl)phenyl]morpholine

4-[4-(chloromethyl)phenyl]morpholine (PubChem CID 28946202) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-[4-(chloromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)phenyl]morpholine
PubChem CID28946202
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-[4-(chloromethyl)phenyl]morpholine
SMILESClCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H14ClNO/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyVXXBDVPJUQJQIS-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
4-Morpholinobenzonitrile
CID 394808
(4-Morpholin-4-ylbenzylidene)malononitrile
CID 321779
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
[3-Fluoro-4-(morpholin-4-yl)phenyl]methanamine
CID 11572017
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
CID 3830898
4-[4-[(Z)-2-nitroethenyl]phenyl]morpholine
CID 2193205
(4-(Dimethylamino)phenyl)(morpholino)methanethione
CID 691987
4-(4-Ethynylphenyl)morpholine
CID 12249158
(3-Morpholinophenyl)methylamine
CID 2795550
Benzenamine, N-(2-ethoxyethyl)-N-ethyl-3-methyl-
CID 15375291

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)phenyl]morpholine?
The IUPAC name of 4-[4-(chloromethyl)phenyl]morpholine (CID 28946202) is 4-[4-(chloromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(chloromethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(chloromethyl)phenyl]morpholine is ClCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(chloromethyl)phenyl]morpholine?
The InChIKey is VXXBDVPJUQJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9H2.
What are the key properties of 4-[4-(chloromethyl)phenyl]morpholine?
4-[4-(chloromethyl)phenyl]morpholine has a molecular weight of 211.69 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)phenyl]morpholine is sourced from PubChem (CID 28946202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).