1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine

C15H21NO3 — CID 55012870

IUPAC1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCC(N)Cc1cc2c(cc1OC1CCCC1)OCO2
InChIInChI=1S/C15H21NO3/c1-10(16)6-11-7-14-15(18-9-17-14)8-13(11)19-12-4-2-3-5-12/h7-8,10,12H,2-6,9,16H2,1H3
InChIKeyRMUFSNOKSZKZCV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds4

About 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine

1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 55012870) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID55012870
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCC(N)Cc1cc2c(cc1OC1CCCC1)OCO2
InChIInChI=1S/C15H21NO3/c1-10(16)6-11-7-14-15(18-9-17-14)8-13(11)19-12-4-2-3-5-12/h7-8,10,12H,2-6,9,16H2,1H3
InChIKeyRMUFSNOKSZKZCV-UHFFFAOYSA-N
XLogP2.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine
CID 55012869
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
CID 82930684
N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine
CID 63557537
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
CID 107137097
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296424
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine (CID 55012870) is 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine is CC(N)Cc1cc2c(cc1OC1CCCC1)OCO2.
What is the InChIKey of 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is RMUFSNOKSZKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(16)6-11-7-14-15(18-9-17-14)8-13(11)19-12-4-2-3-5-12/h7-8,10,12H,2-6,9,16H2,1H3.
What are the key properties of 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine?
1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 55012870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).