2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine

C18H23NO2 — CID 171797938

IUPAC2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine
SMILESCC(CN(C)CC1=CCCC=C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H23NO2/c1-14(11-19(2)12-15-6-4-3-5-7-15)16-8-9-17-18(10-16)21-13-20-17/h4,6-10,14H,3,5,11-13H2,1-2H3
InChIKeyPJBTVBKFSATPSX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine

2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine (PubChem CID 171797938) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine
PubChem CID171797938
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine
SMILESCC(CN(C)CC1=CCCC=C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H23NO2/c1-14(11-19(2)12-15-6-4-3-5-7-15)16-8-9-17-18(10-16)21-13-20-17/h4,6-10,14H,3,5,11-13H2,1-2H3
InChIKeyPJBTVBKFSATPSX-UHFFFAOYSA-N
XLogP3.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-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

2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
3-(1,3-benzodioxol-5-yl)butanoic acid
CID 43211318
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
3-(1,3-benzodioxol-5-yl)-N-benzyl-N-methylbutan-2-amine
CID 171532334
2-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
CID 67559257
1,3-benzodioxol-5-yl-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106107
N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
CID 22773282
3-[2-(1,3-benzodioxol-5-yl)butyl]-2,2-dimethyl-1,3-oxazolidine
CID 171797942
5-[(3S)-heptan-3-yl]-1,3-benzodioxole
CID 142262614
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
CID 54948959
1-(1,3-benzodioxol-5-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 43265749

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine (CID 171797938) is 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine is CC(CN(C)CC1=CCCC=C1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine?
The InChIKey is PJBTVBKFSATPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(11-19(2)12-15-6-4-3-5-7-15)16-8-9-17-18(10-16)21-13-20-17/h4,6-10,14H,3,5,11-13H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine?
2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 171797938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).