N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine

C12H18BrClN2S — CID 102841648

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc(Br)c(Cl)s1)C1CCNC1
InChIInChI=1S/C12H18BrClN2S/c1-2-5-16(9-3-4-15-7-9)8-10-6-11(13)12(14)17-10/h6,9,15H,2-5,7-8H2,1H3
InChIKeyKIKISIPTDIRGQT-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.74
Rot. Bonds5

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 102841648) has the molecular formula C12H18BrClN2S and a molecular weight of 337.71 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID102841648
Molecular FormulaC12H18BrClN2S
Molecular Weight337.71 g/mol
Exact Mass336.01
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc(Br)c(Cl)s1)C1CCNC1
InChIInChI=1S/C12H18BrClN2S/c1-2-5-16(9-3-4-15-7-9)8-10-6-11(13)12(14)17-10/h6,9,15H,2-5,7-8H2,1H3
InChIKeyKIKISIPTDIRGQT-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304716
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
CID 116519800
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854
N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183275
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine (CID 102841648) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1cc(Br)c(Cl)s1)C1CCNC1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is KIKISIPTDIRGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2S/c1-2-5-16(9-3-4-15-7-9)8-10-6-11(13)12(14)17-10/h6,9,15H,2-5,7-8H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 337.71 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 102841648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).