(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine

C16H17NO2 — CID 25273117

IUPAC(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO2/c17-11-14(12-4-2-1-3-5-12)13-6-7-15-16(10-13)19-9-8-18-15/h1-7,10,14H,8-9,11,17H2/t14-/m0/s1
InChIKeyPZCVDWCXOZQXQS-AWEZNQCLSA-N
MW255.32 g/mol
LogP2.55
Rot. Bonds3

About (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine (PubChem CID 25273117) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
PubChem CID25273117
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO2/c17-11-14(12-4-2-1-3-5-12)13-6-7-15-16(10-13)19-9-8-18-15/h1-7,10,14H,8-9,11,17H2/t14-/m0/s1
InChIKeyPZCVDWCXOZQXQS-AWEZNQCLSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 43327451
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986790
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanamine
CID 43481511
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethane-1,2-diamine
CID 66516964
5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-phenylethyl]-1,3-benzodioxole
CID 154709114
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447
6-[3-(1,3-benzodioxol-5-yl)-4,4-difluoro-1-phenylbut-3-enyl]-2,3-dihydro-1,4-benzodioxine
CID 168720209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine?
The IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine (CID 25273117) is (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine?
The canonical SMILES for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine is NC[C@@H](c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine?
The InChIKey is PZCVDWCXOZQXQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO2/c17-11-14(12-4-2-1-3-5-12)13-6-7-15-16(10-13)19-9-8-18-15/h1-7,10,14H,8-9,11,17H2/t14-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine?
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine is sourced from PubChem (CID 25273117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).