N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

C11H13BrN2S — CID 66397930

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(CNCc2cc(Br)cs2)c1
InChIInChI=1S/C11H13BrN2S/c1-14-3-2-9(7-14)5-13-6-11-4-10(12)8-15-11/h2-4,7-8,13H,5-6H2,1H3
InChIKeyHBECZZCSNBFQEM-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.14
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (PubChem CID 66397930) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
PubChem CID66397930
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(CNCc2cc(Br)cs2)c1
InChIInChI=1S/C11H13BrN2S/c1-14-3-2-9(7-14)5-13-6-11-4-10(12)8-15-11/h2-4,7-8,13H,5-6H2,1H3
InChIKeyHBECZZCSNBFQEM-UHFFFAOYSA-N
XLogP3.14
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
N-[(5-bromo-2-fluorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66397706
N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115579770
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 47331653
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81327681
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66398559
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
4,4,4-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 115516568

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (CID 66397930) is N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is Cn1ccc(CNCc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The InChIKey is HBECZZCSNBFQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-14-3-2-9(7-14)5-13-6-11-4-10(12)8-15-11/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine has a molecular weight of 285.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66397930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).