1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine

C15H15NO2 — CID 82541897

IUPAC1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H15NO2/c1-10(16)11-3-2-4-12(7-11)13-5-6-14-15(8-13)18-9-17-14/h2-8,10H,9,16H2,1H3
InChIKeyIVDCXSMMHPAJNP-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.10
Rot. Bonds2

About 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine

1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine (PubChem CID 82541897) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine
PubChem CID82541897
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H15NO2/c1-10(16)11-3-2-4-12(7-11)13-5-6-14-15(8-13)18-9-17-14/h2-8,10H,9,16H2,1H3
InChIKeyIVDCXSMMHPAJNP-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1,3-benzodioxol-5-yl)phenyl]-N-methylethanamine
CID 82540311
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine
CID 84662651
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
5-(3-nitrophenyl)-1,3-benzodioxole
CID 71197366
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine (CID 82541897) is 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine is CC(N)c1cccc(-c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine?
The InChIKey is IVDCXSMMHPAJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10(16)11-3-2-4-12(7-11)13-5-6-14-15(8-13)18-9-17-14/h2-8,10H,9,16H2,1H3.
What are the key properties of 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine?
1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine has a molecular weight of 241.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 82541897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).