N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C13H20BrClN2S — CID 106602849

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cc(Br)c(Cl)s1)CC1CCCN1
InChIInChI=1S/C13H20BrClN2S/c1-9(2)17(7-10-4-3-5-16-10)8-11-6-12(14)13(15)18-11/h6,9-10,16H,3-5,7-8H2,1-2H3
InChIKeyMSEYRHSIFGZGMW-UHFFFAOYSA-N
MW351.74 g/mol
LogP4.13
Rot. Bonds5

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106602849) has the molecular formula C13H20BrClN2S and a molecular weight of 351.74 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106602849
Molecular FormulaC13H20BrClN2S
Molecular Weight351.74 g/mol
Exact Mass350.02
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cc(Br)c(Cl)s1)CC1CCCN1
InChIInChI=1S/C13H20BrClN2S/c1-9(2)17(7-10-4-3-5-16-10)8-11-6-12(14)13(15)18-11/h6,9-10,16H,3-5,7-8H2,1-2H3
InChIKeyMSEYRHSIFGZGMW-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602748
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624273
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599215
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one
CID 106614645
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603092
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106619127

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106602849) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cc(Br)c(Cl)s1)CC1CCCN1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is MSEYRHSIFGZGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2S/c1-9(2)17(7-10-4-3-5-16-10)8-11-6-12(14)13(15)18-11/h6,9-10,16H,3-5,7-8H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 351.74 g/mol, XLogP of 4.13, 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-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106602849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).