3-hexoxy-N-(2-morpholin-4-ylethyl)aniline

C18H30N2O2 — CID 54806895

IUPAC3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
SMILESCCCCCCOc1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C18H30N2O2/c1-2-3-4-5-13-22-18-8-6-7-17(16-18)19-9-10-20-11-14-21-15-12-20/h6-8,16,19H,2-5,9-15H2,1H3
InChIKeyNBPOSKZUDCEAKO-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.39
Rot. Bonds10

About 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline

3-hexoxy-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 54806895) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
PubChem CID54806895
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
SMILESCCCCCCOc1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C18H30N2O2/c1-2-3-4-5-13-22-18-8-6-7-17(16-18)19-9-10-20-11-14-21-15-12-20/h6-8,16,19H,2-5,9-15H2,1H3
InChIKeyNBPOSKZUDCEAKO-UHFFFAOYSA-N
XLogP3.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-heptoxyaniline
CID 54806742
3-butoxy-N-octylaniline
CID 54800685
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N'-(2,6-dimethylphenyl)-N-(3-heptoxyphenyl)ethane-1,2-diamine
CID 54809475
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
2-butoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806988

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline (CID 54806895) is 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline is CCCCCCOc1cccc(NCCN2CCOCC2)c1.
What is the InChIKey of 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is NBPOSKZUDCEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-2-3-4-5-13-22-18-8-6-7-17(16-18)19-9-10-20-11-14-21-15-12-20/h6-8,16,19H,2-5,9-15H2,1H3.
What are the key properties of 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline?
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 306.45 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 54806895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).