N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine

C11H18BrNOS — CID 115750295

IUPACN-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(Br)c(OC)s1
InChIInChI=1S/C11H18BrNOS/c1-4-5-8(2)13-7-9-6-10(12)11(14-3)15-9/h6,8,13H,4-5,7H2,1-3H3
InChIKeyFWQOEDUPEDCLGS-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine

N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine (PubChem CID 115750295) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
PubChem CID115750295
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(Br)c(OC)s1
InChIInChI=1S/C11H18BrNOS/c1-4-5-8(2)13-7-9-6-10(12)11(14-3)15-9/h6,8,13H,4-5,7H2,1-3H3
InChIKeyFWQOEDUPEDCLGS-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115750427
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 102830099
2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide
CID 115750331
(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
CID 103884123
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
CID 102836205
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866320
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 102836538
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine
CID 115750352
N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 102837684
3-[(4-bromo-5-methoxythiophen-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115750489

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine (CID 115750295) is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine is CCCC(C)NCc1cc(Br)c(OC)s1.
What is the InChIKey of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine?
The InChIKey is FWQOEDUPEDCLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-4-5-8(2)13-7-9-6-10(12)11(14-3)15-9/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine?
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine has a molecular weight of 292.24 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115750295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).