5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline

C18H32N2O2 — CID 94759793

IUPAC5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCCNCCCOC(C)C)cc1N
InChIInChI=1S/C18H32N2O2/c1-4-12-22-18-9-8-16(14-17(18)19)7-5-10-20-11-6-13-21-15(2)3/h8-9,14-15,20H,4-7,10-13,19H2,1-3H3
InChIKeyQXZQWTHTQLLUIC-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.39
Rot. Bonds12

About 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline

5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline (PubChem CID 94759793) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
PubChem CID94759793
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCCNCCCOC(C)C)cc1N
InChIInChI=1S/C18H32N2O2/c1-4-12-22-18-9-8-16(14-17(18)19)7-5-10-20-11-6-13-21-15(2)3/h8-9,14-15,20H,4-7,10-13,19H2,1-3H3
InChIKeyQXZQWTHTQLLUIC-UHFFFAOYSA-N
XLogP3.39
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
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

5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
5-[3-(4-ethoxyanilino)propyl]-2-propoxyaniline
CID 82153892
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
CID 82153898
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
N-[3-(3-amino-4-propoxyphenyl)propyl]-1H-1,2,4-triazol-5-amine
CID 82153914
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline?
The IUPAC name of 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline (CID 94759793) is 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline.
What is the SMILES notation for 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline?
The canonical SMILES for 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline is CCCOc1ccc(CCCNCCCOC(C)C)cc1N.
What is the InChIKey of 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline?
The InChIKey is QXZQWTHTQLLUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-12-22-18-9-8-16(14-17(18)19)7-5-10-20-11-6-13-21-15(2)3/h8-9,14-15,20H,4-7,10-13,19H2,1-3H3.
What are the key properties of 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline?
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline has a molecular weight of 308.47 g/mol, XLogP of 3.39, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline is sourced from PubChem (CID 94759793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).