N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine

C17H21BrN2S — CID 79692331

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESBrc1ccsc1CNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H21BrN2S/c18-16-8-11-21-17(16)12-19-15-7-10-20(13-15)9-6-14-4-2-1-3-5-14/h1-5,8,11,15,19H,6-7,9-10,12-13H2
InChIKeyUTESTWIVTHKLCY-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.92
Rot. Bonds6

About N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine

N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine (PubChem CID 79692331) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine
PubChem CID79692331
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESBrc1ccsc1CNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H21BrN2S/c18-16-8-11-21-17(16)12-19-15-7-10-20(13-15)9-6-14-4-2-1-3-5-14/h1-5,8,11,15,19H,6-7,9-10,12-13H2
InChIKeyUTESTWIVTHKLCY-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
2-[4-[(3-bromothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 115380130
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 106415219
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
CID 83010441
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
CID 103922220
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine (CID 79692331) is N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine is Brc1ccsc1CNC1CCN(CCc2ccccc2)C1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine?
The InChIKey is UTESTWIVTHKLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c18-16-8-11-21-17(16)12-19-15-7-10-20(13-15)9-6-14-4-2-1-3-5-14/h1-5,8,11,15,19H,6-7,9-10,12-13H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine?
N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine has a molecular weight of 365.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 79692331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).