N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine

C11H16BrNS — CID 63864847

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-8-3-9(8)5-13(2)6-11-4-10(12)7-14-11/h4,7-9H,3,5-6H2,1-2H3
InChIKeyBHXJUPHYHCJQOQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.60
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 63864847) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID63864847
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-8-3-9(8)5-13(2)6-11-4-10(12)7-14-11/h4,7-9H,3,5-6H2,1-2H3
InChIKeyBHXJUPHYHCJQOQ-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221598
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458492
3-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 103061385
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63494795
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609628
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63864670
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methoxypyrrolidin-2-yl)-N-methylmethanamine
CID 54984908
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79933453
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
1-[(4-bromothiophen-2-yl)methyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110892578

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 63864847) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is CC1CC1CN(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is BHXJUPHYHCJQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8-3-9(8)5-13(2)6-11-4-10(12)7-14-11/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 274.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 63864847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).