N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C15H22N2O2 — CID 61494334

IUPACN-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(cc1NCCCN1CCCC1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-2-8-17(7-1)9-3-6-16-13-4-5-14-15(12-13)19-11-10-18-14/h4-5,12,16H,1-3,6-11H2
InChIKeyXMDXJWAOHVTEHL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.36
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 61494334) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID61494334
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(cc1NCCCN1CCCC1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-2-8-17(7-1)9-3-6-16-13-4-5-14-15(12-13)19-11-10-18-14/h4-5,12,16H,1-3,6-11H2
InChIKeyXMDXJWAOHVTEHL-UHFFFAOYSA-N
XLogP2.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 107911339
N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 15482224
N-hexyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 28876640
N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63487624
N-(4,4-dimethylpentyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 114209373
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013384
1-(1,3-benzodioxol-5-yl)-3-(3-pyrrolidin-1-ylpropyl)thiourea
CID 100630376
N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
CID 65475667
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 54961012
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-amine
CID 107911357
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 61494334) is N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine is c1cc2c(cc1NCCCN1CCCC1)OCCO2.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is XMDXJWAOHVTEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-8-17(7-1)9-3-6-16-13-4-5-14-15(12-13)19-11-10-18-14/h4-5,12,16H,1-3,6-11H2.
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 262.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 61494334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).