1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

C11H18BrClN2S — CID 119922124

IUPAC1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(Br)cs2)C1.Cl
InChIInChI=1S/C11H17BrN2S.ClH/c1-13-5-9-2-3-14(6-9)7-11-4-10(12)8-15-11;/h4,8-9,13H,2-3,5-7H2,1H3;1H
InChIKeyUFVRXSWESKIIHW-UHFFFAOYSA-N
MW325.70 g/mol
LogP2.97
Rot. Bonds4

About 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119922124) has the molecular formula C11H18BrClN2S and a molecular weight of 325.70 g/mol. Its IUPAC name is 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID119922124
Molecular FormulaC11H18BrClN2S
Molecular Weight325.70 g/mol
Exact Mass324.01
IUPAC Name1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(Br)cs2)C1.Cl
InChIInChI=1S/C11H17BrN2S.ClH/c1-13-5-9-2-3-14(6-9)7-11-4-10(12)8-15-11;/h4,8-9,13H,2-3,5-7H2,1H3;1H
InChIKeyUFVRXSWESKIIHW-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
N-[[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928141
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
1-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 102841634
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838588
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (CID 119922124) is 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(Cc2cc(Br)cs2)C1.Cl.
What is the InChIKey of 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is UFVRXSWESKIIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S.ClH/c1-13-5-9-2-3-14(6-9)7-11-4-10(12)8-15-11;/h4,8-9,13H,2-3,5-7H2,1H3;1H.
What are the key properties of 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 325.70 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119922124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).