(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine

C11H16N2O — CID 170089150

IUPAC(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)Cc1ccc2c(c1)OCN2
InChIInChI=1S/C11H16N2O/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12-13H,5,7H2,1-2H3/t8-/m0/s1
InChIKeyXAGGPMPJVLAVGQ-QMMMGPOBSA-N
MW192.26 g/mol
LogP1.60
Rot. Bonds3

About (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine

(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine (PubChem CID 170089150) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine
PubChem CID170089150
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)Cc1ccc2c(c1)OCN2
InChIInChI=1S/C11H16N2O/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12-13H,5,7H2,1-2H3/t8-/m0/s1
InChIKeyXAGGPMPJVLAVGQ-QMMMGPOBSA-N
XLogP1.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
CID 146760748
CID 146760748
CID 169149591
CID 169149591
N-methyl-1-(3-methyl-2,3-dihydro-1H-indol-6-yl)propan-2-amine
CID 117203789
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82262479
N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 123532404
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;2-(3,4,5-trimethoxyphenyl)ethanamine
CID 67523846
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylpropan-2-amine
CID 95419422
(2S)-3-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-ol
CID 151168520
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
CID 170759950
N-methyl-1-phenylpropan-2-amine
CID 118309477

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine?
The IUPAC name of (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine (CID 170089150) is (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine is CN[C@@H](C)Cc1ccc2c(c1)OCN2.
What is the InChIKey of (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine?
The InChIKey is XAGGPMPJVLAVGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12-13H,5,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine?
(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine has a molecular weight of 192.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 170089150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).