N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine

C15H19BrN2OS — CID 17483105

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESBrc1csc(CNCC(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C15H19BrN2OS/c16-12-8-13(20-11-12)9-17-10-14(15-4-3-7-19-15)18-5-1-2-6-18/h3-4,7-8,11,14,17H,1-2,5-6,9-10H2
InChIKeyCSDJFRMYZSIYRR-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.03
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine

N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 17483105) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID17483105
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESBrc1csc(CNCC(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C15H19BrN2OS/c16-12-8-13(20-11-12)9-17-10-14(15-4-3-7-19-15)18-5-1-2-6-18/h3-4,7-8,11,14,17H,1-2,5-6,9-10H2
InChIKeyCSDJFRMYZSIYRR-UHFFFAOYSA-N
XLogP4.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 43181246
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
(2R)-2-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 51627380
4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 104878381
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 64539505
2-(4-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 55930317

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (CID 17483105) is N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is Brc1csc(CNCC(c2ccco2)N2CCCC2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is CSDJFRMYZSIYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c16-12-8-13(20-11-12)9-17-10-14(15-4-3-7-19-15)18-5-1-2-6-18/h3-4,7-8,11,14,17H,1-2,5-6,9-10H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 355.30 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 17483105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).