(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine

C13H15Br2NS — CID 114097016

IUPAC(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)C1C2C3CCC(C3)C21
InChIInChI=1S/C13H15Br2NS/c14-7-4-8(17-13(7)15)12(16)11-9-5-1-2-6(3-5)10(9)11/h4-6,9-12H,1-3,16H2
InChIKeyJLWCRKKQQABKTQ-UHFFFAOYSA-N
MW377.15 g/mol
LogP4.57
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine

(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine (PubChem CID 114097016) has the molecular formula C13H15Br2NS and a molecular weight of 377.15 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
PubChem CID114097016
Molecular FormulaC13H15Br2NS
Molecular Weight377.15 g/mol
Exact Mass374.93
IUPAC Name(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)C1C2C3CCC(C3)C21
InChIInChI=1S/C13H15Br2NS/c14-7-4-8(17-13(7)15)12(16)11-9-5-1-2-6(3-5)10(9)11/h4-6,9-12H,1-3,16H2
InChIKeyJLWCRKKQQABKTQ-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine 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

cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80533050
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 130826862
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80533090
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827092
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
2,3-dibromo-5-[bromo(cyclohexyl)methyl]thiophene
CID 80534412
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine (CID 114097016) is (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine is NC(c1cc(Br)c(Br)s1)C1C2C3CCC(C3)C21.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The InChIKey is JLWCRKKQQABKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NS/c14-7-4-8(17-13(7)15)12(16)11-9-5-1-2-6(3-5)10(9)11/h4-6,9-12H,1-3,16H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine has a molecular weight of 377.15 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine is sourced from PubChem (CID 114097016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).