N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C10H16BrClN2S — CID 119923094

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1ccc(Br)s1)C1CCNC1.Cl
InChIInChI=1S/C10H15BrN2S.ClH/c1-13(8-4-5-12-6-8)7-9-2-3-10(11)14-9;/h2-3,8,12H,4-7H2,1H3;1H
InChIKeyLHNYKDHJIFBPLY-UHFFFAOYSA-N
MW311.68 g/mol
LogP2.73
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119923094) has the molecular formula C10H16BrClN2S and a molecular weight of 311.68 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119923094
Molecular FormulaC10H16BrClN2S
Molecular Weight311.68 g/mol
Exact Mass309.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1ccc(Br)s1)C1CCNC1.Cl
InChIInChI=1S/C10H15BrN2S.ClH/c1-13(8-4-5-12-6-8)7-9-2-3-10(11)14-9;/h2-3,8,12H,4-7H2,1H3;1H
InChIKeyLHNYKDHJIFBPLY-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451849
N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120839502
N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 131047945
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 119923094) is N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CN(Cc1ccc(Br)s1)C1CCNC1.Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is LHNYKDHJIFBPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S.ClH/c1-13(8-4-5-12-6-8)7-9-2-3-10(11)14-9;/h2-3,8,12H,4-7H2,1H3;1H.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 311.68 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119923094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).