N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine

C15H23NO4 — CID 103228067

IUPACN-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO4/c1-11(2)7-16-8-13(9-17-3)20-12-4-5-14-15(6-12)19-10-18-14/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyVWIIUSJACYQPKI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.05
Rot. Bonds8

About N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine

N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine (PubChem CID 103228067) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
PubChem CID103228067
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO4/c1-11(2)7-16-8-13(9-17-3)20-12-4-5-14-15(6-12)19-10-18-14/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyVWIIUSJACYQPKI-UHFFFAOYSA-N
XLogP2.05
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228429
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228528
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832
N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
CID 62445715
2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227814
3-(1,3-benzodioxol-5-yloxy)pentanoic acid
CID 114990501
3-(1,3-benzodioxol-5-yloxy)pentanenitrile
CID 43368057
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
CID 93105125

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine (CID 103228067) is N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)Oc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The InChIKey is VWIIUSJACYQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)7-16-8-13(9-17-3)20-12-4-5-14-15(6-12)19-10-18-14/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103228067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).