1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine

C16H26N2O — CID 63785664

IUPAC1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
SMILESCCC1COCCN1c1ccc(CC(C)N)cc1C
InChIInChI=1S/C16H26N2O/c1-4-15-11-19-8-7-18(15)16-6-5-14(9-12(16)2)10-13(3)17/h5-6,9,13,15H,4,7-8,10-11,17H2,1-3H3
InChIKeyXQQAWIKQXSSQBH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds4

About 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine

1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine (PubChem CID 63785664) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
PubChem CID63785664
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
SMILESCCC1COCCN1c1ccc(CC(C)N)cc1C
InChIInChI=1S/C16H26N2O/c1-4-15-11-19-8-7-18(15)16-6-5-14(9-12(16)2)10-13(3)17/h5-6,9,13,15H,4,7-8,10-11,17H2,1-3H3
InChIKeyXQQAWIKQXSSQBH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine (CID 63785664) is 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine is CCC1COCCN1c1ccc(CC(C)N)cc1C.
What is the InChIKey of 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
The InChIKey is XQQAWIKQXSSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15-11-19-8-7-18(15)16-6-5-14(9-12(16)2)10-13(3)17/h5-6,9,13,15H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine?
1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 63785664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).