1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine

C17H21BrN2S — CID 43784622

IUPAC1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(Cc2ccccc2)C1)c1sccc1Br
InChIInChI=1S/C17H21BrN2S/c1-13(17-16(18)8-10-21-17)19-15-7-9-20(12-15)11-14-5-3-2-4-6-14/h2-6,8,10,13,15,19H,7,9,11-12H2,1H3
InChIKeyNEEPOFQRLPBKEJ-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.44
Rot. Bonds5

About 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine

1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine (PubChem CID 43784622) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine
PubChem CID43784622
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(Cc2ccccc2)C1)c1sccc1Br
InChIInChI=1S/C17H21BrN2S/c1-13(17-16(18)8-10-21-17)19-15-7-9-20(12-15)11-14-5-3-2-4-6-14/h2-6,8,10,13,15,19H,7,9,11-12H2,1H3
InChIKeyNEEPOFQRLPBKEJ-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
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2-Thenylamine, alpha-(p-bromobenzyl)-N-isopropyl-, hydrochloride
CID 3062011
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CID 3155254
N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 72046139
(3S)-1-[(2-fluorophenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-amine
CID 171359565
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CID 91253269
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-2-[5-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]ethanamine
CID 149862185
2-[(5-Bromo-4-methylthiophen-2-yl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl-dimethylazanium
CID 171442380
Benzyl[2-(thiophen-2-YL)pent-4-EN-2-YL]amine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine (CID 43784622) is 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine is CC(NC1CCN(Cc2ccccc2)C1)c1sccc1Br.
What is the InChIKey of 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is NEEPOFQRLPBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-13(17-16(18)8-10-21-17)19-15-7-9-20(12-15)11-14-5-3-2-4-6-14/h2-6,8,10,13,15,19H,7,9,11-12H2,1H3.
What are the key properties of 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine?
1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 365.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3-bromothiophen-2-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 43784622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).