1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine

C19H17NO2 — CID 22299281

IUPAC1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine
SMILESCC(N)(c1ccc2c(c1)OCO2)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO2/c1-19(20,16-8-9-17-18(11-16)22-12-21-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12,20H2,1H3
InChIKeyPGEYTSLBZURUAT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.79
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine

1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine (PubChem CID 22299281) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine
PubChem CID22299281
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine
SMILESCC(N)(c1ccc2c(c1)OCO2)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO2/c1-19(20,16-8-9-17-18(11-16)22-12-21-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12,20H2,1H3
InChIKeyPGEYTSLBZURUAT-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
CID 30116351
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355
1-(2-chlorophenyl)-1-naphthalen-2-ylethanamine
CID 62789205
3-(1,3-benzodioxol-5-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839632
2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine
CID 83837134
4-amino-2-(1,3-benzodioxol-5-yl)butan-2-ol
CID 82395145
2-(1,3-benzodioxol-5-yl)-2-methyl-3,3-dinaphthalen-1-ylpropanoic acid
CID 121278678
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine (CID 22299281) is 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine is CC(N)(c1ccc2c(c1)OCO2)c1ccc2ccccc2c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is PGEYTSLBZURUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-19(20,16-8-9-17-18(11-16)22-12-21-17)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12,20H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine?
1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 291.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 22299281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).