1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine

C10H16BrNOS — CID 105055102

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cc(C)c(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7-6-9(14-10(7)11)8(12)4-3-5-13-2/h6,8H,3-5,12H2,1-2H3
InChIKeyPCKUBGRBFRLRHZ-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.25
Rot. Bonds5

About 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine (PubChem CID 105055102) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
PubChem CID105055102
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1cc(C)c(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7-6-9(14-10(7)11)8(12)4-3-5-13-2/h6,8H,3-5,12H2,1-2H3
InChIKeyPCKUBGRBFRLRHZ-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol
CID 115839544
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
(S)-(5-bromo-4-methylthiophen-2-yl)-diethoxyphosphorylmethanamine
CID 171191732
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
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-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
CID 115839601
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
ethyl 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanoate
CID 79991140
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79990281

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine (CID 105055102) is 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine is COCCCC(N)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine?
The InChIKey is PCKUBGRBFRLRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7-6-9(14-10(7)11)8(12)4-3-5-13-2/h6,8H,3-5,12H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine has a molecular weight of 278.21 g/mol, XLogP of 3.25, 5 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)-4-methoxybutan-1-amine is sourced from PubChem (CID 105055102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).