(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
Benzyl(1-(morpholin-4-yl)propan-2-yl)amine
CID 43675806
8-[(4-Ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118745369
N,9-dibenzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 178304513
3-(2-methyl-1-piperidyl)-N-[[4-[(2-morpholinoethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899806
(2-Morpholin-4-yl-ethyl)-(1-phenyl-2-piperidin-1-yl-ethyl)-amine
CID 51000971
N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine
CID 51001214
9-Benzyl-1-oxa-9-azaspiro(5.5)undecan-4-amine dihydrochloride
CID 56773823
2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)-N-[2-(morpholin-4-yl)ethyl]ethanamine
CID 16424356
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-phenyl-2-piperidin-1-ylethanamine
CID 10380812

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).