N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine

C17H28N2O — CID 43562789

IUPACN-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCOC(CC)C2)cc1
InChIInChI=1S/C17H28N2O/c1-4-10-18-14(3)15-6-8-16(9-7-15)19-11-12-20-17(5-2)13-19/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyWMQPZPJIOATXKA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.36
Rot. Bonds6

About N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine

N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 43562789) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID43562789
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCOC(CC)C2)cc1
InChIInChI=1S/C17H28N2O/c1-4-10-18-14(3)15-6-8-16(9-7-15)19-11-12-20-17(5-2)13-19/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyWMQPZPJIOATXKA-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine (CID 43562789) is N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CCOC(CC)C2)cc1.
What is the InChIKey of N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is WMQPZPJIOATXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-10-18-14(3)15-6-8-16(9-7-15)19-11-12-20-17(5-2)13-19/h6-9,14,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43562789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).