1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine

C13H17BrClNS — CID 102835755

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine
SMILESClc1sc(CNCC2CC3CCC2C3)cc1Br
InChIInChI=1S/C13H17BrClNS/c14-12-5-11(17-13(12)15)7-16-6-10-4-8-1-2-9(10)3-8/h5,8-10,16H,1-4,6-7H2
InChIKeyLEDLKPBQCCOEMW-UHFFFAOYSA-N
MW334.71 g/mol
LogP4.69
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine (PubChem CID 102835755) has the molecular formula C13H17BrClNS and a molecular weight of 334.71 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine
PubChem CID102835755
Molecular FormulaC13H17BrClNS
Molecular Weight334.71 g/mol
Exact Mass333.00
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine
SMILESClc1sc(CNCC2CC3CCC2C3)cc1Br
InChIInChI=1S/C13H17BrClNS/c14-12-5-11(17-13(12)15)7-16-6-10-4-8-1-2-9(10)3-8/h5,8-10,16H,1-4,6-7H2
InChIKeyLEDLKPBQCCOEMW-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine with MolForge

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Related Compounds

5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile
CID 113250085
4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962467
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
CID 63681912
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
CID 79554344
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106007961
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]furan-3-carboxylic acid
CID 104608943
1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 102836147
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine (CID 102835755) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine is Clc1sc(CNCC2CC3CCC2C3)cc1Br.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine?
The InChIKey is LEDLKPBQCCOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNS/c14-12-5-11(17-13(12)15)7-16-6-10-4-8-1-2-9(10)3-8/h5,8-10,16H,1-4,6-7H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine has a molecular weight of 334.71 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 102835755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).