1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine

C10H16BrNOS — CID 105013420

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
SMILESCc1cc(C(N)COC(C)C)sc1Br
InChIInChI=1S/C10H16BrNOS/c1-6(2)13-5-8(12)9-4-7(3)10(11)14-9/h4,6,8H,5,12H2,1-3H3
InChIKeyDFTJAWCQJAEXLV-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.24
Rot. Bonds4

About 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine

1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine (PubChem CID 105013420) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
PubChem CID105013420
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
SMILESCc1cc(C(N)COC(C)C)sc1Br
InChIInChI=1S/C10H16BrNOS/c1-6(2)13-5-8(12)9-4-7(3)10(11)14-9/h4,6,8H,5,12H2,1-3H3
InChIKeyDFTJAWCQJAEXLV-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275
methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
CID 79991245
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105168152
1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
CID 79992174
ethyl 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanoate
CID 79991140

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine (CID 105013420) is 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine is Cc1cc(C(N)COC(C)C)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
The InChIKey is DFTJAWCQJAEXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-6(2)13-5-8(12)9-4-7(3)10(11)14-9/h4,6,8H,5,12H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine has a molecular weight of 278.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105013420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).