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

C12H20BrNOS — CID 115710888

IUPAC2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1cc(C)c(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-4-5-12(3,8-15)14-7-10-6-9(2)11(13)16-10/h6,14-15H,4-5,7-8H2,1-3H3
InChIKeyAMTVXEVEKQGEDV-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.46
Rot. Bonds6

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

2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol (PubChem CID 115710888) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
PubChem CID115710888
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1cc(C)c(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-4-5-12(3,8-15)14-7-10-6-9(2)11(13)16-10/h6,14-15H,4-5,7-8H2,1-3H3
InChIKeyAMTVXEVEKQGEDV-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115702491
2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
CID 111432021
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 111916693
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylpentan-3-amine
CID 106328072
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 79990855
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
2-[(4,5-dibromothiophen-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851057
2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 115710741
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
CID 109482003

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol (CID 115710888) is 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol is CCCC(C)(CO)NCc1cc(C)c(Br)s1.
What is the InChIKey of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol?
The InChIKey is AMTVXEVEKQGEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-4-5-12(3,8-15)14-7-10-6-9(2)11(13)16-10/h6,14-15H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol?
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol has a molecular weight of 306.27 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 115710888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).