(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine

C15H23NO — CID 59376141

IUPAC(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
SMILESCC(C)c1ccc(CN2CCOC[C@@H]2C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)15-6-4-14(5-7-15)10-16-8-9-17-11-13(16)3/h4-7,12-13H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyVJFSMXKVZYGDIC-ZDUSSCGKSA-N
MW233.36 g/mol
LogP3.03
Rot. Bonds3

About (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine

(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine (PubChem CID 59376141) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
PubChem CID59376141
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
SMILESCC(C)c1ccc(CN2CCOC[C@@H]2C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)15-6-4-14(5-7-15)10-16-8-9-17-11-13(16)3/h4-7,12-13H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyVJFSMXKVZYGDIC-ZDUSSCGKSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100725
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 159859057
3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 155453612
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol
CID 175037646
2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
CID 62422688
2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
CID 43542037

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine (CID 59376141) is (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine is CC(C)c1ccc(CN2CCOC[C@@H]2C)cc1.
What is the InChIKey of (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine?
The InChIKey is VJFSMXKVZYGDIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)15-6-4-14(5-7-15)10-16-8-9-17-11-13(16)3/h4-7,12-13H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine?
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine has a molecular weight of 233.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine is sourced from PubChem (CID 59376141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).