(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine

C15H16N2O2 — CID 28649895

IUPAC(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-11(13-4-2-3-7-16-13)17-9-12-5-6-14-15(8-12)19-10-18-14/h2-8,11,17H,9-10H2,1H3/t11-/m1/s1
InChIKeyWLHPVKCBUOIBMR-LLVKDONJSA-N
MW256.31 g/mol
LogP2.66
Rot. Bonds4

About (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine

(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine (PubChem CID 28649895) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
PubChem CID28649895
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-11(13-4-2-3-7-16-13)17-9-12-5-6-14-15(8-12)19-10-18-14/h2-8,11,17H,9-10H2,1H3/t11-/m1/s1
InChIKeyWLHPVKCBUOIBMR-LLVKDONJSA-N
XLogP2.66
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401977
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 28649877
4-[1-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenol
CID 43202737
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 43181438
3-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylpropanenitrile
CID 121107553
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 114828301
3-(1,3-benzodioxol-5-ylmethylamino)butanenitrile
CID 62906978

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine (CID 28649895) is (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine is C[C@@H](NCc1ccc2c(c1)OCO2)c1ccccn1.
What is the InChIKey of (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine?
The InChIKey is WLHPVKCBUOIBMR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(13-4-2-3-7-16-13)17-9-12-5-6-14-15(8-12)19-10-18-14/h2-8,11,17H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine?
(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine has a molecular weight of 256.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 28649895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).