4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine

C19H32N2O2 — CID 138678189

IUPAC4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
SMILESCCCC(N)(CCC)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C19H32N2O2/c1-3-9-19(20,10-4-2)17-5-7-18(8-6-17)23-16-13-21-11-14-22-15-12-21/h5-8H,3-4,9-16,20H2,1-2H3
InChIKeyAAJKAJRYQJXONB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.15
Rot. Bonds9

About 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine

4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine (PubChem CID 138678189) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
PubChem CID138678189
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
SMILESCCCC(N)(CCC)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C19H32N2O2/c1-3-9-19(20,10-4-2)17-5-7-18(8-6-17)23-16-13-21-11-14-22-15-12-21/h5-8H,3-4,9-16,20H2,1-2H3
InChIKeyAAJKAJRYQJXONB-UHFFFAOYSA-N
XLogP3.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[2-(3-butoxyphenoxy)ethyl]morpholine
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1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol
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4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-(2-morpholin-4-ylethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine?
The IUPAC name of 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine (CID 138678189) is 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine is CCCC(N)(CCC)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine?
The InChIKey is AAJKAJRYQJXONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-9-19(20,10-4-2)17-5-7-18(8-6-17)23-16-13-21-11-14-22-15-12-21/h5-8H,3-4,9-16,20H2,1-2H3.
What are the key properties of 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine?
4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine has a molecular weight of 320.48 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine is sourced from PubChem (CID 138678189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).