(2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol

C9H15NOS — CID 106932318

IUPAC(2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol
SMILESCc1cscc1CNC[C@@H](C)O
InChIInChI=1S/C9H15NOS/c1-7-5-12-6-9(7)4-10-3-8(2)11/h5-6,8,10-11H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyNWGMWSXLGDZJGJ-MRVPVSSYSA-N
MW185.29 g/mol
LogP1.53
Rot. Bonds4

About (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol

(2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol (PubChem CID 106932318) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol
PubChem CID106932318
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol
SMILESCc1cscc1CNC[C@@H](C)O
InChIInChI=1S/C9H15NOS/c1-7-5-12-6-9(7)4-10-3-8(2)11/h5-6,8,10-11H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyNWGMWSXLGDZJGJ-MRVPVSSYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-{[(thiophen-3-yl)methyl]amino}propan-1-ol
CID 4723833
2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
1,1,1-Trifluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 61529878
N-[(4-methylthiophen-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 80247882
N-[(4-methylthiophen-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 80248285
1,1,1-Trifluoro-3-[(4-methylthiophen-3-yl)methylamino]propan-2-ol
CID 80248381
1,1-Difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 103731415
2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 4723871
1-{[(Thiophen-3-yl)methyl]amino}propan-2-ol
CID 4723843
2-{[(4-Bromothiophen-3-yl)methyl]amino}ethan-1-ol
CID 130524619
2-[(3-Thienylmethyl)amino]-1-butanol
CID 4723840
1-({2-[(Thiophen-3-ylmethyl)amino]ethyl}amino)propan-2-ol
CID 4723865

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol (CID 106932318) is (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol is Cc1cscc1CNC[C@@H](C)O.
What is the InChIKey of (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol?
The InChIKey is NWGMWSXLGDZJGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-5-12-6-9(7)4-10-3-8(2)11/h5-6,8,10-11H,3-4H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol?
(2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methylthiophen-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106932318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).