N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine

C13H18BrNS — CID 115710605

IUPACN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
SMILESCc1cc(CNC(C2CC2)C2CC2)sc1Br
InChIInChI=1S/C13H18BrNS/c1-8-6-11(16-13(8)14)7-15-12(9-2-3-9)10-4-5-10/h6,9-10,12,15H,2-5,7H2,1H3
InChIKeyYDTGHSIPUCRKKF-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.10
Rot. Bonds5

About N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine (PubChem CID 115710605) has the molecular formula C13H18BrNS and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
PubChem CID115710605
Molecular FormulaC13H18BrNS
Molecular Weight300.27 g/mol
Exact Mass299.03
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
SMILESCc1cc(CNC(C2CC2)C2CC2)sc1Br
InChIInChI=1S/C13H18BrNS/c1-8-6-11(16-13(8)14)7-15-12(9-2-3-9)10-4-5-10/h6,9-10,12,15H,2-5,7H2,1H3
InChIKeyYDTGHSIPUCRKKF-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447170
(R)-N-(3-bromobenzyl)-1-(thiophen-2-yl)ethan-1-amine
CID 28683358
(E)-N-benzyl-3-(5-bromothiophen-2-yl)prop-2-en-1-amine
CID 164668155
(1R)-N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623497
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623500
(1R)-N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683102
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683104
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43180847
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182689
N-[(5-bromothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43223871
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-difluorophenyl)ethanamine
CID 43224032
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43225770

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine (CID 115710605) is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine is Cc1cc(CNC(C2CC2)C2CC2)sc1Br.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine?
The InChIKey is YDTGHSIPUCRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c1-8-6-11(16-13(8)14)7-15-12(9-2-3-9)10-4-5-10/h6,9-10,12,15H,2-5,7H2,1H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine has a molecular weight of 300.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine is sourced from PubChem (CID 115710605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).