5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline

C18H31N3O2 — CID 94759859

IUPAC5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCNCCN2CCOCC2)cc1N
InChIInChI=1S/C18H31N3O2/c1-15(2)23-18-6-5-16(14-17(18)19)4-3-7-20-8-9-21-10-12-22-13-11-21/h5-6,14-15,20H,3-4,7-13,19H2,1-2H3
InChIKeyPGTSFIPTJDGYHZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.91
Rot. Bonds9

About 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline

5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline (PubChem CID 94759859) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
PubChem CID94759859
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCNCCN2CCOCC2)cc1N
InChIInChI=1S/C18H31N3O2/c1-15(2)23-18-6-5-16(14-17(18)19)4-3-7-20-8-9-21-10-12-22-13-11-21/h5-6,14-15,20H,3-4,7-13,19H2,1-2H3
InChIKeyPGTSFIPTJDGYHZ-UHFFFAOYSA-N
XLogP1.91
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
CID 82257573
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
CID 82070796
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 82153253
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline?
The IUPAC name of 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline (CID 94759859) is 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline?
The canonical SMILES for 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccc(CCCNCCN2CCOCC2)cc1N.
What is the InChIKey of 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline?
The InChIKey is PGTSFIPTJDGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15(2)23-18-6-5-16(14-17(18)19)4-3-7-20-8-9-21-10-12-22-13-11-21/h5-6,14-15,20H,3-4,7-13,19H2,1-2H3.
What are the key properties of 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline?
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline has a molecular weight of 321.47 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 94759859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).