(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine

C14H21NO — CID 159859057

IUPAC(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOC[C@H]2C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-10-12(15)3/h4-7,11-12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyNQXCMFVCYUIGIH-GFCCVEGCSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds2

About (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine

(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine (PubChem CID 159859057) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
PubChem CID159859057
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOC[C@H]2C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-10-12(15)3/h4-7,11-12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyNQXCMFVCYUIGIH-GFCCVEGCSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 155453612
(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
CID 93111746
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
tert-butyl N-[(1R)-1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]ethyl]carbamate
CID 139516361
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid
CID 139511865
methane;(3S)-3-methyl-4-(3-morpholin-4-ylphenyl)morpholine
CID 145463706
3-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 166093297
4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline
CID 83002865

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine (CID 159859057) is (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine is CC(C)c1ccc(N2CCOC[C@H]2C)cc1.
What is the InChIKey of (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is NQXCMFVCYUIGIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-10-12(15)3/h4-7,11-12H,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine?
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 159859057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).