N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine

C11H16Cl2N2S — CID 107961532

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESClc1cc(CNCCN2CCCC2)c(Cl)s1
InChIInChI=1S/C11H16Cl2N2S/c12-10-7-9(11(13)16-10)8-14-3-6-15-4-1-2-5-15/h7,14H,1-6,8H2
InChIKeyIUXXPXHEUAKMMX-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.24
Rot. Bonds5

About N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 107961532) has the molecular formula C11H16Cl2N2S and a molecular weight of 279.24 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID107961532
Molecular FormulaC11H16Cl2N2S
Molecular Weight279.24 g/mol
Exact Mass278.04
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESClc1cc(CNCCN2CCCC2)c(Cl)s1
InChIInChI=1S/C11H16Cl2N2S/c12-10-7-9(11(13)16-10)8-14-3-6-15-4-1-2-5-15/h7,14H,1-6,8H2
InChIKeyIUXXPXHEUAKMMX-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 102830924
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 54976929
N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 61037688
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 107961596
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 113362652
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 113406182
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 107961532) is N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine is Clc1cc(CNCCN2CCCC2)c(Cl)s1.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is IUXXPXHEUAKMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S/c12-10-7-9(11(13)16-10)8-14-3-6-15-4-1-2-5-15/h7,14H,1-6,8H2.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 279.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 107961532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).