2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine

C16H25NO3 — CID 83044626

IUPAC2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H25NO3/c1-4-5-14(9-17-12(2)3)18-10-13-6-7-15-16(8-13)20-11-19-15/h6-8,12,14,17H,4-5,9-11H2,1-3H3
InChIKeyYKWBPZFLASTFOB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.10
Rot. Bonds8

About 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine

2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 83044626) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine
PubChem CID83044626
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H25NO3/c1-4-5-14(9-17-12(2)3)18-10-13-6-7-15-16(8-13)20-11-19-15/h6-8,12,14,17H,4-5,9-11H2,1-3H3
InChIKeyYKWBPZFLASTFOB-UHFFFAOYSA-N
XLogP3.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227814
2-(1,3-benzodioxol-5-ylmethoxy)-N-methylbutan-1-amine
CID 55077500
N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine
CID 55077501
2-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid
CID 83038249
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
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentan-1-amine
CID 43202757
4-(1,3-benzodioxol-5-ylmethoxy)-N-methylpentan-1-amine
CID 62445731
4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 62445906
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine (CID 83044626) is 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)OCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is YKWBPZFLASTFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-14(9-17-12(2)3)18-10-13-6-7-15-16(8-13)20-11-19-15/h6-8,12,14,17H,4-5,9-11H2,1-3H3.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine?
2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83044626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).