(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

C16H26N2O — CID 116544706

IUPAC(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2CN(C)CCO2)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-13-5-4-6-14(10-13)16(17)15-11-18(3)7-8-19-15/h4-6,10,12,15-16H,7-9,11,17H2,1-3H3
InChIKeyPPEARQLWEODWCP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds4

About (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544706) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544706
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2CN(C)CCO2)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-13-5-4-6-14(10-13)16(17)15-11-18(3)7-8-19-15/h4-6,10,12,15-16H,7-9,11,17H2,1-3H3
InChIKeyPPEARQLWEODWCP-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
(4-ethylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543719
(4-fluorophenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093624
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
(4-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093138
(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79699140
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922361
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200
2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093554

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116544706) is (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)C2CN(C)CCO2)c1.
What is the InChIKey of (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is PPEARQLWEODWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-13-5-4-6-14(10-13)16(17)15-11-18(3)7-8-19-15/h4-6,10,12,15-16H,7-9,11,17H2,1-3H3.
What are the key properties of (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).