(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol

C13H23NOS — CID 103898723

IUPAC(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol
SMILESCc1cc(C(N[C@H](C)CO)C(C)C)c(C)s1
InChIInChI=1S/C13H23NOS/c1-8(2)13(14-9(3)7-15)12-6-10(4)16-11(12)5/h6,8-9,13-15H,7H2,1-5H3/t9-,13?/m1/s1
InChIKeyXGTJKBGMNZDDDC-CGCSKFHYSA-N
MW241.40 g/mol
LogP3.03
Rot. Bonds5

About (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol

(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol (PubChem CID 103898723) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol
PubChem CID103898723
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol
SMILESCc1cc(C(N[C@H](C)CO)C(C)C)c(C)s1
InChIInChI=1S/C13H23NOS/c1-8(2)13(14-9(3)7-15)12-6-10(4)16-11(12)5/h6,8-9,13-15H,7H2,1-5H3/t9-,13?/m1/s1
InChIKeyXGTJKBGMNZDDDC-CGCSKFHYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol (CID 103898723) is (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol is Cc1cc(C(N[C@H](C)CO)C(C)C)c(C)s1.
What is the InChIKey of (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol?
The InChIKey is XGTJKBGMNZDDDC-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-8(2)13(14-9(3)7-15)12-6-10(4)16-11(12)5/h6,8-9,13-15H,7H2,1-5H3/t9-,13?/m1/s1.
What are the key properties of (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol?
(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol is sourced from PubChem (CID 103898723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).