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

C10H16BrNOS — CID 106508330

IUPAC2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-2-10(6-12,7-13)4-9-3-8(11)5-14-9/h3,5,13H,2,4,6-7,12H2,1H3
InChIKeyCJECEJUCJMFNRW-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.40
Rot. Bonds5

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

2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol (PubChem CID 106508330) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
PubChem CID106508330
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-2-10(6-12,7-13)4-9-3-8(11)5-14-9/h3,5,13H,2,4,6-7,12H2,1H3
InChIKeyCJECEJUCJMFNRW-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol
CID 106507624
2-(aminomethyl)-2-[(3-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508309
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol
CID 106508317
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
CID 65153708
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507912
2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol
CID 106506348
2-benzyl-2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79008970
2-[(4-bromothiophen-2-yl)methyl]-2-ethylhexanoic acid
CID 63402781
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol (CID 106508330) is 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol is CCC(CN)(CO)Cc1cc(Br)cs1.
What is the InChIKey of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
The InChIKey is CJECEJUCJMFNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-2-10(6-12,7-13)4-9-3-8(11)5-14-9/h3,5,13H,2,4,6-7,12H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol has a molecular weight of 278.21 g/mol, XLogP of 2.40, 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]butan-1-ol is sourced from PubChem (CID 106508330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).