N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine

C15H23NO3 — CID 62445715

IUPACN-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-11(2)7-16-8-12(3)17-9-13-4-5-14-15(6-13)19-10-18-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyRDGRUVWSGGXMFC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine

N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine (PubChem CID 62445715) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
PubChem CID62445715
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-11(2)7-16-8-12(3)17-9-13-4-5-14-15(6-13)19-10-18-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyRDGRUVWSGGXMFC-UHFFFAOYSA-N
XLogP2.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
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
2-(1,3-benzodioxol-5-ylmethoxy)-N-methylbutan-1-amine
CID 55077500
4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 62445906
5-(difluoromethoxymethyl)-1,3-benzodioxole
CID 162716617
2-(1,3-benzodioxol-5-ylmethoxy)-N-propan-2-ylpentan-1-amine
CID 83044626
N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine
CID 55077501
2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227814
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpropan-1-amine
CID 58080614
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
2-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
CID 67559257
N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228067

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine (CID 62445715) is N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)OCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is RDGRUVWSGGXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)7-16-8-12(3)17-9-13-4-5-14-15(6-13)19-10-18-14/h4-6,11-12,16H,7-10H2,1-3H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine?
N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62445715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).