1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine

C13H19NO2 — CID 22214795

IUPAC1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCCCc1c(CC(C)N)ccc2c1OCO2
InChIInChI=1S/C13H19NO2/c1-3-4-11-10(7-9(2)14)5-6-12-13(11)16-8-15-12/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyIEEISXYDQUGNQS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds4

About 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine

1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 22214795) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID22214795
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCCCc1c(CC(C)N)ccc2c1OCO2
InChIInChI=1S/C13H19NO2/c1-3-4-11-10(7-9(2)14)5-6-12-13(11)16-8-15-12/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyIEEISXYDQUGNQS-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117396524
2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117284510
1-(5-bromo-1,3-benzodioxol-4-yl)butan-2-amine;hydrochloride
CID 170889163
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296424
1-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine
CID 117431271
1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine
CID 117298689
6-(2-aminopropyl)-4-bromo-1,3-benzodioxol-5-ol
CID 117437377
1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine
CID 101045626
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117319889
6-(2-aminopropyl)-4-chloro-1,3-benzodioxol-5-ol
CID 117331311
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117285083

Frequently Asked Questions

What is the IUPAC name of 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine (CID 22214795) is 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine is CCCc1c(CC(C)N)ccc2c1OCO2.
What is the InChIKey of 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is IEEISXYDQUGNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-11-10(7-9(2)14)5-6-12-13(11)16-8-15-12/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine?
1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 22214795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).