3-[(4-chloro-2-methylphenyl)methyl]morpholine

C12H16ClNO — CID 82287728

IUPAC3-[(4-chloro-2-methylphenyl)methyl]morpholine
SMILESCc1cc(Cl)ccc1CC1COCCN1
InChIInChI=1S/C12H16ClNO/c1-9-6-11(13)3-2-10(9)7-12-8-15-5-4-14-12/h2-3,6,12,14H,4-5,7-8H2,1H3
InChIKeyKJSIASXRNXHCML-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.18
Rot. Bonds2

About 3-[(4-chloro-2-methylphenyl)methyl]morpholine

3-[(4-chloro-2-methylphenyl)methyl]morpholine (PubChem CID 82287728) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)methyl]morpholine
PubChem CID82287728
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-[(4-chloro-2-methylphenyl)methyl]morpholine
SMILESCc1cc(Cl)ccc1CC1COCCN1
InChIInChI=1S/C12H16ClNO/c1-9-6-11(13)3-2-10(9)7-12-8-15-5-4-14-12/h2-3,6,12,14H,4-5,7-8H2,1H3
InChIKeyKJSIASXRNXHCML-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
CID 117044833
1-(4-chloro-2-fluorophenyl)-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 114852724
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
CID 116928267
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)methyl]morpholine?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)methyl]morpholine (CID 82287728) is 3-[(4-chloro-2-methylphenyl)methyl]morpholine.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)methyl]morpholine?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)methyl]morpholine is Cc1cc(Cl)ccc1CC1COCCN1.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)methyl]morpholine?
The InChIKey is KJSIASXRNXHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-6-11(13)3-2-10(9)7-12-8-15-5-4-14-12/h2-3,6,12,14H,4-5,7-8H2,1H3.
What are the key properties of 3-[(4-chloro-2-methylphenyl)methyl]morpholine?
3-[(4-chloro-2-methylphenyl)methyl]morpholine has a molecular weight of 225.72 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methylphenyl)methyl]morpholine is sourced from PubChem (CID 82287728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).