(3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine

C18H28N2O — CID 114603947

IUPAC(3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCC(C)N1CCOC(C(N)c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H28N2O/c1-13(2)20-9-10-21-17(12-20)18(19)16-8-4-7-15(11-16)14-5-3-6-14/h4,7-8,11,13-14,17-18H,3,5-6,9-10,12,19H2,1-2H3
InChIKeyWXHAJJYKOHYCKU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.06
Rot. Bonds4

About (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine

(3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine (PubChem CID 114603947) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
PubChem CID114603947
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCC(C)N1CCOC(C(N)c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H28N2O/c1-13(2)20-9-10-21-17(12-20)18(19)16-8-4-7-15(11-16)14-5-3-6-14/h4,7-8,11,13-14,17-18H,3,5-6,9-10,12,19H2,1-2H3
InChIKeyWXHAJJYKOHYCKU-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 ≤ 500288.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
(3-cyclobutylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 114603995
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-cyclobutylphenyl)-(oxan-4-yl)methanamine
CID 114603376
(4-propan-2-ylmorpholin-2-yl)-quinolin-3-ylmethanamine
CID 79665562
(2,3-dichlorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665565
1-(3-cyclobutylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114603703
(2-phenylcyclopropyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 116517749
(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544706
(2-ethoxyphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79664711
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine (CID 114603947) is (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine is CC(C)N1CCOC(C(N)c2cccc(C3CCC3)c2)C1.
What is the InChIKey of (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine?
The InChIKey is WXHAJJYKOHYCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)20-9-10-21-17(12-20)18(19)16-8-4-7-15(11-16)14-5-3-6-14/h4,7-8,11,13-14,17-18H,3,5-6,9-10,12,19H2,1-2H3.
What are the key properties of (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine?
(3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine has a molecular weight of 288.44 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 (3-cyclobutylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 114603947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).