1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

C9H15NOS — CID 3157956

IUPAC1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(C)O)s1
InChIInChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3
InChIKeyJLVFMHMDKADIAM-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.53
Rot. Bonds4

About 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 3157956) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID3157956
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(C)O)s1
InChIInChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3
InChIKeyJLVFMHMDKADIAM-UHFFFAOYSA-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-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol
CID 3156001
1-({2-[(2-Thienylmethyl)amino]ethyl}amino)-2-propanol dihydrochloride
CID 16189374
(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2966635
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol dihydrochloride
CID 16189723
(3-Isopropoxy-propyl)-thiophen-2-ylmethyl-amine
CID 3155084
2-Methyl-2-(thiophen-2-ylmethylamino)propan-1-ol;hydrochloride
CID 16189453
(2-Methoxyethyl)[(thiophen-2-yl)methyl]amine
CID 4719999
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465
2-Methyl-2-{[(3-methylthiophen-2-YL)methyl]amino}propan-1-OL
CID 834041
2-Methyl-2-[(thiophen-2-ylmethyl)amino]propan-1-ol
CID 834070
1-(4-ethylmorpholin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 53617391

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (CID 3157956) is 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is Cc1ccc(CNCC(C)O)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is JLVFMHMDKADIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
1-[(5-methylthiophen-2-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 1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 3157956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).