4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine

C13H19NO3 — CID 62445906

IUPAC4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
SMILESCC(CCCN)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C13H19NO3/c1-10(3-2-6-14)15-8-11-4-5-12-13(7-11)17-9-16-12/h4-5,7,10H,2-3,6,8-9,14H2,1H3
InChIKeyRDECHYFIOZHVDX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.06
Rot. Bonds6

About 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine

4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine (PubChem CID 62445906) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
PubChem CID62445906
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
SMILESCC(CCCN)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C13H19NO3/c1-10(3-2-6-14)15-8-11-4-5-12-13(7-11)17-9-16-12/h4-5,7,10H,2-3,6,8-9,14H2,1H3
InChIKeyRDECHYFIOZHVDX-UHFFFAOYSA-N
XLogP2.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-ylmethoxy)-N-methylpentan-1-amine
CID 62445731
4-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
CID 62445732
N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
CID 62445715
5-(difluoromethoxymethyl)-1,3-benzodioxole
CID 162716617
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
4-[(4-bromophenyl)methoxy]pentan-1-amine
CID 82831924
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
CID 163959918
2-(1,3-benzodioxol-5-ylmethoxy)-N-methylbutan-1-amine
CID 55077500
2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine
CID 83044626
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
2-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid
CID 83038249

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine (CID 62445906) is 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine is CC(CCCN)OCc1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine?
The InChIKey is RDECHYFIOZHVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(3-2-6-14)15-8-11-4-5-12-13(7-11)17-9-16-12/h4-5,7,10H,2-3,6,8-9,14H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine?
4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine is sourced from PubChem (CID 62445906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).