(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine

C14H21NO2 — CID 95419422

IUPAC(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine
SMILESCCCN[C@@H](C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-3-6-15-11(2)9-12-4-5-13-14(10-12)17-8-7-16-13/h4-5,10-11,15H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyDJRRDRYTDODSRO-NSHDSACASA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds5

About (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine

(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine (PubChem CID 95419422) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine
PubChem CID95419422
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine
SMILESCCCN[C@@H](C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-3-6-15-11(2)9-12-4-5-13-14(10-12)17-8-7-16-13/h4-5,10-11,15H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyDJRRDRYTDODSRO-NSHDSACASA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82262479
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propylbutan-2-amine
CID 64647460
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-propylpropan-2-amine
CID 63200115
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylsulfanylbutan-2-amine
CID 115660394
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propylbutan-2-amine
CID 64647458
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylpentan-2-amine
CID 115479156
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206548
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butan-1-ol
CID 116930737

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine?
The IUPAC name of (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine (CID 95419422) is (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine?
The canonical SMILES for (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine is CCCN[C@@H](C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine?
The InChIKey is DJRRDRYTDODSRO-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-6-15-11(2)9-12-4-5-13-14(10-12)17-8-7-16-13/h4-5,10-11,15H,3,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine?
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 95419422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).