3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline

C15H24N2O2 — CID 43365509

IUPAC3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
SMILESCC1CN(CCCOc2cccc(N)c2)CC(C)O1
InChIInChI=1S/C15H24N2O2/c1-12-10-17(11-13(2)19-12)7-4-8-18-15-6-3-5-14(16)9-15/h3,5-6,9,12-13H,4,7-8,10-11,16H2,1-2H3
InChIKeyDKZRBDBKWMXYFJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds5

About 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline

3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline (PubChem CID 43365509) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline.

Molecular Properties

Compound Name3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
PubChem CID43365509
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
SMILESCC1CN(CCCOc2cccc(N)c2)CC(C)O1
InChIInChI=1S/C15H24N2O2/c1-12-10-17(11-13(2)19-12)7-4-8-18-15-6-3-5-14(16)9-15/h3,5-6,9,12-13H,4,7-8,10-11,16H2,1-2H3
InChIKeyDKZRBDBKWMXYFJ-UHFFFAOYSA-N
XLogP2.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine
CID 2995034
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
3-[3-(2-ethylmorpholin-4-yl)propoxy]aniline
CID 43562250
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
CID 2993601
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline?
The IUPAC name of 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline (CID 43365509) is 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline.
What is the SMILES notation for 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline?
The canonical SMILES for 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline is CC1CN(CCCOc2cccc(N)c2)CC(C)O1.
What is the InChIKey of 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline?
The InChIKey is DKZRBDBKWMXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-10-17(11-13(2)19-12)7-4-8-18-15-6-3-5-14(16)9-15/h3,5-6,9,12-13H,4,7-8,10-11,16H2,1-2H3.
What are the key properties of 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline?
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline is sourced from PubChem (CID 43365509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).