3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine

C16H25NO — CID 116927963

IUPAC3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
SMILESCc1cc(C(C)(C)C)ccc1CC1COCCN1
InChIInChI=1S/C16H25NO/c1-12-9-14(16(2,3)4)6-5-13(12)10-15-11-18-8-7-17-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3
InChIKeyDWPAJCYPVRQTNO-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.82
Rot. Bonds2

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

3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine (PubChem CID 116927963) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
PubChem CID116927963
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
SMILESCc1cc(C(C)(C)C)ccc1CC1COCCN1
InChIInChI=1S/C16H25NO/c1-12-9-14(16(2,3)4)6-5-13(12)10-15-11-18-8-7-17-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3
InChIKeyDWPAJCYPVRQTNO-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
2-(3-chloro-4-methylphenyl)-1-morpholin-3-ylpropan-2-ol
CID 107559679
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115237984
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
CID 116890422
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine
CID 116881149

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine?
The IUPAC name of 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine (CID 116927963) is 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine.
What is the SMILES notation for 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine?
The canonical SMILES for 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine is Cc1cc(C(C)(C)C)ccc1CC1COCCN1.
What is the InChIKey of 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine?
The InChIKey is DWPAJCYPVRQTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-9-14(16(2,3)4)6-5-13(12)10-15-11-18-8-7-17-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3.
What are the key properties of 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine?
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine has a molecular weight of 247.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine is sourced from PubChem (CID 116927963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).