(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

C18H28N2O2 — CID 99854285

IUPAC(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCc1ccccc1[C@@H](CN1CCOCC1)NC[C@H]1CCCO1
InChIInChI=1S/C18H28N2O2/c1-15-5-2-3-7-17(15)18(14-20-8-11-21-12-9-20)19-13-16-6-4-10-22-16/h2-3,5,7,16,18-19H,4,6,8-14H2,1H3/t16-,18-/m1/s1
InChIKeyMMMAMPJRWUJNIL-SJLPKXTDSA-N
MW304.43 g/mol
LogP2.14
Rot. Bonds6

About (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (PubChem CID 99854285) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
PubChem CID99854285
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCc1ccccc1[C@@H](CN1CCOCC1)NC[C@H]1CCCO1
InChIInChI=1S/C18H28N2O2/c1-15-5-2-3-7-17(15)18(14-20-8-11-21-12-9-20)19-13-16-6-4-10-22-16/h2-3,5,7,16,18-19H,4,6,8-14H2,1H3/t16-,18-/m1/s1
InChIKeyMMMAMPJRWUJNIL-SJLPKXTDSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 99854313
2-[[1-(2-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-phenylethanol
CID 146081346
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine
CID 99782963
(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
CID 99701622
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
2-(2-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049972
N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 55249395
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (CID 99854285) is (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@H]1CCCO1.
What is the InChIKey of (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is MMMAMPJRWUJNIL-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-5-2-3-7-17(15)18(14-20-8-11-21-12-9-20)19-13-16-6-4-10-22-16/h2-3,5,7,16,18-19H,4,6,8-14H2,1H3/t16-,18-/m1/s1.
What are the key properties of (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 304.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 99854285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).