(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine

C13H20N2O — CID 93111746

IUPAC(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
SMILESC[C@@H]1COCCN1c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C13H20N2O/c1-10-9-16-8-7-15(10)13-5-3-12(4-6-13)11(2)14/h3-6,10-11H,7-9,14H2,1-2H3/t10-,11-/m1/s1
InChIKeyAPIIFDHCBYBINA-GHMZBOCLSA-N
MW220.32 g/mol
LogP1.93
Rot. Bonds2

About (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine

(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine (PubChem CID 93111746) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
PubChem CID93111746
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
SMILESC[C@@H]1COCCN1c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C13H20N2O/c1-10-9-16-8-7-15(10)13-5-3-12(4-6-13)11(2)14/h3-6,10-11H,7-9,14H2,1-2H3/t10-,11-/m1/s1
InChIKeyAPIIFDHCBYBINA-GHMZBOCLSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 159859057
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369438
tert-butyl N-[(1R)-1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]ethyl]carbamate
CID 139516361
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline
CID 83002865
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
(1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine
CID 114058638

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine (CID 93111746) is (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine is C[C@@H]1COCCN1c1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine?
The InChIKey is APIIFDHCBYBINA-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-9-16-8-7-15(10)13-5-3-12(4-6-13)11(2)14/h3-6,10-11H,7-9,14H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine?
(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine is sourced from PubChem (CID 93111746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).