5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline

C18H32N2O2 — CID 95408697

IUPAC5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
SMILESCCCCOCCCNCCc1ccc(OCCC)c(N)c1
InChIInChI=1S/C18H32N2O2/c1-3-5-13-21-14-6-10-20-11-9-16-7-8-18(17(19)15-16)22-12-4-2/h7-8,15,20H,3-6,9-14,19H2,1-2H3
InChIKeyRUIZIRDCAMVHOT-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.40
Rot. Bonds13

About 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline

5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline (PubChem CID 95408697) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
PubChem CID95408697
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
SMILESCCCCOCCCNCCc1ccc(OCCC)c(N)c1
InChIInChI=1S/C18H32N2O2/c1-3-5-13-21-14-6-10-20-11-9-16-7-8-18(17(19)15-16)22-12-4-2/h7-8,15,20H,3-6,9-14,19H2,1-2H3
InChIKeyRUIZIRDCAMVHOT-UHFFFAOYSA-N
XLogP3.40
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.40
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-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
CID 82257655
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
5-[3-(4-ethoxyanilino)propyl]-2-propoxyaniline
CID 82153892
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline?
The IUPAC name of 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline (CID 95408697) is 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline is CCCCOCCCNCCc1ccc(OCCC)c(N)c1.
What is the InChIKey of 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline?
The InChIKey is RUIZIRDCAMVHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-5-13-21-14-6-10-20-11-9-16-7-8-18(17(19)15-16)22-12-4-2/h7-8,15,20H,3-6,9-14,19H2,1-2H3.
What are the key properties of 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline?
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline has a molecular weight of 308.47 g/mol, XLogP of 3.40, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline is sourced from PubChem (CID 95408697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).