4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol

C11H18BrNOS — CID 102836538

IUPAC4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
SMILESCc1sc(CNC(C)CCCO)cc1Br
InChIInChI=1S/C11H18BrNOS/c1-8(4-3-5-14)13-7-10-6-11(12)9(2)15-10/h6,8,13-14H,3-5,7H2,1-2H3
InChIKeyRAGKVRIRABTRIF-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.07
Rot. Bonds6

About 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol

4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol (PubChem CID 102836538) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
PubChem CID102836538
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
SMILESCc1sc(CNC(C)CCCO)cc1Br
InChIInChI=1S/C11H18BrNOS/c1-8(4-3-5-14)13-7-10-6-11(12)9(2)15-10/h6,8,13-14H,3-5,7H2,1-2H3
InChIKeyRAGKVRIRABTRIF-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol 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

2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
CID 102831611
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 102830099
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
2-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102837149
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 102835924
N-[(4-bromo-5-methylthiophen-2-yl)methyl]hex-1-yn-3-amine
CID 106226201
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458
(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
CID 97051682
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
2-[5-[(5-hydroxypentan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 82888365
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 114115104

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol (CID 102836538) is 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol is Cc1sc(CNC(C)CCCO)cc1Br.
What is the InChIKey of 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol?
The InChIKey is RAGKVRIRABTRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-8(4-3-5-14)13-7-10-6-11(12)9(2)15-10/h6,8,13-14H,3-5,7H2,1-2H3.
What are the key properties of 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol?
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 102836538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).