4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine

C21H27N3O2 — CID 173439460

IUPAC4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine
SMILESNCCCCOC(CN)CCOc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C21H27N3O2/c22-10-3-4-11-25-19(15-23)9-12-26-18-8-7-17-13-16-5-1-2-6-20(16)24-21(17)14-18/h1-2,5-8,13-14,19H,3-4,9-12,15,22-23H2
InChIKeyCLORLUHFPJHCKG-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds10

About 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine

4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine (PubChem CID 173439460) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine.

Molecular Properties

Compound Name4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine
PubChem CID173439460
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine
SMILESNCCCCOC(CN)CCOc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C21H27N3O2/c22-10-3-4-11-25-19(15-23)9-12-26-18-8-7-17-13-16-5-1-2-6-20(16)24-21(17)14-18/h1-2,5-8,13-14,19H,3-4,9-12,15,22-23H2
InChIKeyCLORLUHFPJHCKG-UHFFFAOYSA-N
XLogP3.24
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-hexoxyacridine
CID 141299786
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
4-anthracen-9-yloxybutan-1-amine
CID 14373236
acridine-3-carboxylic acid;decan-1-amine
CID 161148808
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
3-quinoxalin-6-yloxypropan-1-amine
CID 82189749
2-ethoxy-4-phenoxybutan-1-amine
CID 63070117
N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
CID 88785633
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567

Frequently Asked Questions

What is the IUPAC name of 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine?
The IUPAC name of 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine (CID 173439460) is 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine.
What is the SMILES notation for 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine?
The canonical SMILES for 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine is NCCCCOC(CN)CCOc1ccc2cc3ccccc3nc2c1.
What is the InChIKey of 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine?
The InChIKey is CLORLUHFPJHCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-10-3-4-11-25-19(15-23)9-12-26-18-8-7-17-13-16-5-1-2-6-20(16)24-21(17)14-18/h1-2,5-8,13-14,19H,3-4,9-12,15,22-23H2.
What are the key properties of 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine?
4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine has a molecular weight of 353.47 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acridin-3-yloxy-2-(4-aminobutoxy)butan-1-amine is sourced from PubChem (CID 173439460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).