1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine

C18H28N2O — CID 114603703

IUPAC1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(C(N)c1cccc(C2CCC2)c1)N1CCOCC1
InChIInChI=1S/C18H28N2O/c1-18(2,20-9-11-21-12-10-20)17(19)16-8-4-7-15(13-16)14-5-3-6-14/h4,7-8,13-14,17H,3,5-6,9-12,19H2,1-2H3
InChIKeyUBPABSCYRHGFRM-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.06
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine

1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 114603703) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID114603703
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(C(N)c1cccc(C2CCC2)c1)N1CCOCC1
InChIInChI=1S/C18H28N2O/c1-18(2,20-9-11-21-12-10-20)17(19)16-8-4-7-15(13-16)14-5-3-6-14/h4,7-8,13-14,17H,3,5-6,9-12,19H2,1-2H3
InChIKeyUBPABSCYRHGFRM-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 114603703) is 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine is CC(C)(C(N)c1cccc(C2CCC2)c1)N1CCOCC1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is UBPABSCYRHGFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,20-9-11-21-12-10-20)17(19)16-8-4-7-15(13-16)14-5-3-6-14/h4,7-8,13-14,17H,3,5-6,9-12,19H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 114603703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).