2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine

C14H20ClNO — CID 82298656

IUPAC2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine
SMILESCc1ccc(CC2CNC(C)(C)CO2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-10-4-5-11(7-13(10)15)6-12-8-16-14(2,3)9-17-12/h4-5,7,12,16H,6,8-9H2,1-3H3
InChIKeyTWFBOVVTXMZCPE-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.96
Rot. Bonds2

About 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine

2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine (PubChem CID 82298656) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine
PubChem CID82298656
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine
SMILESCc1ccc(CC2CNC(C)(C)CO2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-10-4-5-11(7-13(10)15)6-12-8-16-14(2,3)9-17-12/h4-5,7,12,16H,6,8-9H2,1-3H3
InChIKeyTWFBOVVTXMZCPE-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-Chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
CID 73353582
2-(2-Chlorophenyl)morpholine
CID 3739938
2-(3-Chlorophenyl)morpholine
CID 12343541
2-(3-Chlorophenyl)-5,5-dimethylmorpholine
CID 24271569
3-(3-Chlorophenyl)morpholine HCl
CID 24271589
2-(3-Chlorophenyl)-5-methylmorpholine
CID 43367106
3-Chlorophenmetrazine
CID 43350791
(2S,5R)-2-(2-Chlorophenyl)-5-methylmorpholine;hydrochloride
CID 132351055
3-(3-Chlorophenyl)morpholine hydrochloride
CID 137346921
(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine
CID 39242981
N-[2-(3-chlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2853463
(R)-3-(o-chlorophenyl)morpholine
CID 40424145

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine (CID 82298656) is 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine is Cc1ccc(CC2CNC(C)(C)CO2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine?
The InChIKey is TWFBOVVTXMZCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-4-5-11(7-13(10)15)6-12-8-16-14(2,3)9-17-12/h4-5,7,12,16H,6,8-9H2,1-3H3.
What are the key properties of 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine?
2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine has a molecular weight of 253.77 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylphenyl)methyl]-5,5-dimethylmorpholine is sourced from PubChem (CID 82298656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).