4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline

C15H22N2O — CID 118407332

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
SMILESC=CCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-4-9-16-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17/h4-8,12-13,16H,1,9-11H2,2-3H3/t12-,13+
InChIKeyTWRKSLLRACLEEK-BETUJISGSA-N
MW246.35 g/mol
LogP2.90
Rot. Bonds4

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline (PubChem CID 118407332) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
PubChem CID118407332
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
SMILESC=CCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-4-9-16-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17/h4-8,12-13,16H,1,9-11H2,2-3H3/t12-,13+
InChIKeyTWRKSLLRACLEEK-BETUJISGSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
CID 59231299
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70839201
1-(cyclopropylmethyl)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 94336075
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline (CID 118407332) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline is C=CCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
The InChIKey is TWRKSLLRACLEEK-BETUJISGSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-9-16-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17/h4-8,12-13,16H,1,9-11H2,2-3H3/t12-,13+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline has a molecular weight of 246.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline is sourced from PubChem (CID 118407332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).