N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine

C17H28N2O2 — CID 60888208

IUPACN-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-17(18-4-2)15-5-7-16(8-6-15)21-14-11-19-9-12-20-13-10-19/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyYOOAVHLDUQKZJG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.46
Rot. Bonds8

About N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine

N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine (PubChem CID 60888208) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
PubChem CID60888208
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-17(18-4-2)15-5-7-16(8-6-15)21-14-11-19-9-12-20-13-10-19/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyYOOAVHLDUQKZJG-UHFFFAOYSA-N
XLogP2.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine (CID 60888208) is N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine is CCNC(CC)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
The InChIKey is YOOAVHLDUQKZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-17(18-4-2)15-5-7-16(8-6-15)21-14-11-19-9-12-20-13-10-19/h5-8,17-18H,3-4,9-14H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine?
N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 60888208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).