1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine

C10H17NOS — CID 115577931

IUPAC1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
SMILESCc1ccc(C(N)COC(C)C)s1
InChIInChI=1S/C10H17NOS/c1-7(2)12-6-9(11)10-5-4-8(3)13-10/h4-5,7,9H,6,11H2,1-3H3
InChIKeyBABIKTMIFFENLG-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.48
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine

1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine (PubChem CID 115577931) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
PubChem CID115577931
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
SMILESCc1ccc(C(N)COC(C)C)s1
InChIInChI=1S/C10H17NOS/c1-7(2)12-6-9(11)10-5-4-8(3)13-10/h4-5,7,9H,6,11H2,1-3H3
InChIKeyBABIKTMIFFENLG-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171202347
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
2-(1-ethoxyethyl)-5-methylthiophene
CID 134421689
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 103031795
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine (CID 115577931) is 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine is Cc1ccc(C(N)COC(C)C)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
The InChIKey is BABIKTMIFFENLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(2)12-6-9(11)10-5-4-8(3)13-10/h4-5,7,9H,6,11H2,1-3H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine has a molecular weight of 199.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 115577931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).