1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine

C18H28N2O2 — CID 91660424

IUPAC1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1ccccc1C(CN1CCOCC1)NCC1CCCO1
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
InChIKeyMMMAMPJRWUJNIL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.14
Rot. Bonds6

About 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine

1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 91660424) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID91660424
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1ccccc1C(CN1CCOCC1)NCC1CCCO1
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
InChIKeyMMMAMPJRWUJNIL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine (CID 91660424) is 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine is Cc1ccccc1C(CN1CCOCC1)NCC1CCCO1.
What is the InChIKey of 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is MMMAMPJRWUJNIL-UHFFFAOYSA-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.
What are the key properties of 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine?
1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)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 1-(2-methylphenyl)-2-morpholin-4-yl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 91660424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).