2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol

C11H18BrNOS — CID 106507624

IUPAC2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CN)(CO)Cc1cc(Br)cs1
InChIInChI=1S/C11H18BrNOS/c1-8(2)11(6-13,7-14)4-10-3-9(12)5-15-10/h3,5,8,14H,4,6-7,13H2,1-2H3
InChIKeyXINFLIVHAUEYQN-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.65
Rot. Bonds5

About 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol

2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol (PubChem CID 106507624) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol
PubChem CID106507624
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CN)(CO)Cc1cc(Br)cs1
InChIInChI=1S/C11H18BrNOS/c1-8(2)11(6-13,7-14)4-10-3-9(12)5-15-10/h3,5,8,14H,4,6-7,13H2,1-2H3
InChIKeyXINFLIVHAUEYQN-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-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-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508330
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 106507545
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678
4-bromo-2-(3-bromo-4-methylpentyl)thiophene
CID 63472952
2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 111422036
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 115133567

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol (CID 106507624) is 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol is CC(C)C(CN)(CO)Cc1cc(Br)cs1.
What is the InChIKey of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol?
The InChIKey is XINFLIVHAUEYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-8(2)11(6-13,7-14)4-10-3-9(12)5-15-10/h3,5,8,14H,4,6-7,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol?
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 106507624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).