2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline

C23H32N2O3 — CID 97024254

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1cc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C
InChIInChI=1S/C23H32N2O3/c1-16(2)27-22-11-10-19(12-23(22)26-5)13-24-20-8-6-7-9-21(20)25-14-17(3)28-18(4)15-25/h6-12,16-18,24H,13-15H2,1-5H3/t17-,18-/m1/s1
InChIKeyUCZMCTHWRGCBRM-QZTJIDSGSA-N
MW384.52 g/mol
LogP4.71
Rot. Bonds7

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 97024254) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline
PubChem CID97024254
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1cc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C
InChIInChI=1S/C23H32N2O3/c1-16(2)27-22-11-10-19(12-23(22)26-5)13-24-20-8-6-7-9-21(20)25-14-17(3)28-18(4)15-25/h6-12,16-18,24H,13-15H2,1-5H3/t17-,18-/m1/s1
InChIKeyUCZMCTHWRGCBRM-QZTJIDSGSA-N
XLogP4.71
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline with MolForge

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
CID 43742604
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
CID 39371034
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 84754386
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
CID 104957818
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
CID 103887921
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 112846379
1-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 115608160
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline (CID 97024254) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline is COc1cc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is UCZMCTHWRGCBRM-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-16(2)27-22-11-10-19(12-23(22)26-5)13-24-20-8-6-7-9-21(20)25-14-17(3)28-18(4)15-25/h6-12,16-18,24H,13-15H2,1-5H3/t17-,18-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 384.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 97024254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).