(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine

C14H21NO2 — CID 95451553

IUPAC(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
SMILESCC(C)(C)Oc1ccc([C@H]2COCCN2)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)17-12-6-4-11(5-7-12)13-10-16-9-8-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyGAUCLMCRXAOSOR-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds2

About (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine

(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine (PubChem CID 95451553) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
PubChem CID95451553
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
SMILESCC(C)(C)Oc1ccc([C@H]2COCCN2)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)17-12-6-4-11(5-7-12)13-10-16-9-8-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyGAUCLMCRXAOSOR-CYBMUJFWSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211
3-[4-(2-methylpropoxy)phenyl]morpholine
CID 82291237
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 82297057
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
4-morpholin-3-ylbenzoic acid
CID 83439810
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
CID 171192994
3-(6-methylnaphthalen-2-yl)morpholine
CID 116963155
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
The IUPAC name of (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine (CID 95451553) is (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine.
What is the SMILES notation for (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
The canonical SMILES for (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine is CC(C)(C)Oc1ccc([C@H]2COCCN2)cc1.
What is the InChIKey of (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
The InChIKey is GAUCLMCRXAOSOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)17-12-6-4-11(5-7-12)13-10-16-9-8-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine?
(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine is sourced from PubChem (CID 95451553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).