4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine

C14H20ClNO — CID 82214335

IUPAC4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine
SMILESCc1ccc(C(Cl)CN2CCOCC2)cc1C
InChIInChI=1S/C14H20ClNO/c1-11-3-4-13(9-12(11)2)14(15)10-16-5-7-17-8-6-16/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyKLBJAHPQJFTNTJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.92
Rot. Bonds3

About 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine

4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine (PubChem CID 82214335) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine
PubChem CID82214335
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine
SMILESCc1ccc(C(Cl)CN2CCOCC2)cc1C
InChIInChI=1S/C14H20ClNO/c1-11-3-4-13(9-12(11)2)14(15)10-16-5-7-17-8-6-16/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyKLBJAHPQJFTNTJ-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanol
CID 82214318
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82214306
4-[2-chloro-2-(4-methoxy-3-nitrophenyl)ethyl]morpholine
CID 82215274
4-(1-chloro-3,3-dimethylbutyl)-1,2-dimethylbenzene
CID 63430869
1-[2-chloro-2-(4-methyl-3-nitrophenyl)ethyl]pyrrolidine
CID 82215735
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline
CID 82214339
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine?
The IUPAC name of 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine (CID 82214335) is 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine?
The canonical SMILES for 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine is Cc1ccc(C(Cl)CN2CCOCC2)cc1C.
What is the InChIKey of 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine?
The InChIKey is KLBJAHPQJFTNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-3-4-13(9-12(11)2)14(15)10-16-5-7-17-8-6-16/h3-4,9,14H,5-8,10H2,1-2H3.
What are the key properties of 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine?
4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine has a molecular weight of 253.77 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine is sourced from PubChem (CID 82214335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).