(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine

C17H19NO2 — CID 155091223

IUPAC(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCC1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-16-9-5-6-10-17(16)20-15/h2-10,13,15,18H,11-12H2,1H3/t13-,15?/m1/s1
InChIKeySWDKCQHPGGQNDW-AFYYWNPRSA-N
MW269.34 g/mol
LogP3.18
Rot. Bonds4

About (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine

(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine (PubChem CID 155091223) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
PubChem CID155091223
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCC1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-16-9-5-6-10-17(16)20-15/h2-10,13,15,18H,11-12H2,1H3/t13-,15?/m1/s1
InChIKeySWDKCQHPGGQNDW-AFYYWNPRSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]phenol
CID 43204652
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
(1S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(1-propan-2-ylpyrazol-4-yl)ethanamine
CID 97229124
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 64988585
(2R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methylheptan-2-amine
CID 125480047
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 113405291
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine
CID 43130020
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,2-diamine
CID 83960709
(2S)-N-carbamoyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-phenylacetamide
CID 8513987
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine (CID 155091223) is (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine is C[C@@H](NCC1COc2ccccc2O1)c1ccccc1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine?
The InChIKey is SWDKCQHPGGQNDW-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-16-9-5-6-10-17(16)20-15/h2-10,13,15,18H,11-12H2,1H3/t13-,15?/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine?
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine has a molecular weight of 269.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 155091223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).