N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine

C13H20BrNS — CID 62717986

IUPACN-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)Cc1sccc1Br
InChIInChI=1S/C13H20BrNS/c1-3-13(2,9-15-10-4-5-10)8-12-11(14)6-7-16-12/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyFIFQWTHIIAWONA-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.22
Rot. Bonds6

About N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine

N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 62717986) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID62717986
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)Cc1sccc1Br
InChIInChI=1S/C13H20BrNS/c1-3-13(2,9-15-10-4-5-10)8-12-11(14)6-7-16-12/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyFIFQWTHIIAWONA-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-(thiophen-2-yl)cyclohexyl)ethan-1-amine
CID 68673941
1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 55095464
1-(3-bromothiophen-2-yl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 62600067
1-(4-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602266
1-(4-bromothiophen-2-yl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 62602320
1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602453
1-(3-bromothiophen-2-yl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62602959
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine
CID 62604284
1-(3-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 62605708
1-(4-bromothiophen-2-yl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605729
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412970
1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 63416912

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine (CID 62717986) is N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine is CCC(C)(CNC1CC1)Cc1sccc1Br.
What is the InChIKey of N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is FIFQWTHIIAWONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-13(2,9-15-10-4-5-10)8-12-11(14)6-7-16-12/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine has a molecular weight of 302.28 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62717986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).