(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine

C20H32N2O2 — CID 99701622

IUPAC(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
SMILESCc1ccccc1[C@@H](CN1CCOCC1)N[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C20H32N2O2/c1-16-6-4-5-7-18(16)19(15-22-9-12-23-13-10-22)21-17-8-11-24-20(2,3)14-17/h4-7,17,19,21H,8-15H2,1-3H3/t17-,19+/m0/s1
InChIKeyMOCQSSHZFYTMEI-PKOBYXMFSA-N
MW332.49 g/mol
LogP2.92
Rot. Bonds5

About (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine

(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine (PubChem CID 99701622) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
PubChem CID99701622
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
SMILESCc1ccccc1[C@@H](CN1CCOCC1)N[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C20H32N2O2/c1-16-6-4-5-7-18(16)19(15-22-9-12-23-13-10-22)21-17-8-11-24-20(2,3)14-17/h4-7,17,19,21H,8-15H2,1-3H3/t17-,19+/m0/s1
InChIKeyMOCQSSHZFYTMEI-PKOBYXMFSA-N
XLogP2.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
The IUPAC name of (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine (CID 99701622) is (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine.
What is the SMILES notation for (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
The canonical SMILES for (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine is Cc1ccccc1[C@@H](CN1CCOCC1)N[C@H]1CCOC(C)(C)C1.
What is the InChIKey of (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
The InChIKey is MOCQSSHZFYTMEI-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16-6-4-5-7-18(16)19(15-22-9-12-23-13-10-22)21-17-8-11-24-20(2,3)14-17/h4-7,17,19,21H,8-15H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine?
(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine has a molecular weight of 332.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine is sourced from PubChem (CID 99701622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).