1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

C12H19BrN2S — CID 107355064

IUPAC1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C)c1cc(Br)cs1
InChIInChI=1S/C12H19BrN2S/c1-9(12-6-10(13)8-16-12)15-5-3-4-11(15)7-14-2/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyOMKABPGRIACJAN-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.26
Rot. Bonds4

About 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 107355064) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID107355064
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C)c1cc(Br)cs1
InChIInChI=1S/C12H19BrN2S/c1-9(12-6-10(13)8-16-12)15-5-3-4-11(15)7-14-2/h6,8-9,11,14H,3-5,7H2,1-2H3
InChIKeyOMKABPGRIACJAN-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
1-[1-(4-bromothiophen-2-yl)ethyl]azocane-2-carboxylic acid
CID 114239971
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 114080437
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine
CID 115316239
1-[1-(4-bromothiophen-2-yl)ethyl]piperidin-4-amine
CID 107354980
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
1-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316160

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 107355064) is 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1C(C)c1cc(Br)cs1.
What is the InChIKey of 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is OMKABPGRIACJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-9(12-6-10(13)8-16-12)15-5-3-4-11(15)7-14-2/h6,8-9,11,14H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-bromothiophen-2-yl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107355064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).