4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine

C16H25NO — CID 59743834

IUPAC4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
SMILESCC(C)(C)Cc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)12-14-4-6-15(7-5-14)13-17-8-10-18-11-9-17/h4-7H,8-13H2,1-3H3
InChIKeySGIKAEHRUZVRHK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds3

About 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine

4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine (PubChem CID 59743834) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
PubChem CID59743834
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
SMILESCC(C)(C)Cc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)12-14-4-6-15(7-5-14)13-17-8-10-18-11-9-17/h4-7H,8-13H2,1-3H3
InChIKeySGIKAEHRUZVRHK-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine (CID 59743834) is 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine is CC(C)(C)Cc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine?
The InChIKey is SGIKAEHRUZVRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)12-14-4-6-15(7-5-14)13-17-8-10-18-11-9-17/h4-7H,8-13H2,1-3H3.
What are the key properties of 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine?
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine has a molecular weight of 247.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine is sourced from PubChem (CID 59743834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).