N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine

C11H12ClNS2 — CID 79420654

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1cc(Cl)cs1)c1cccs1
InChIInChI=1S/C11H12ClNS2/c1-8(11-3-2-4-14-11)13-6-10-5-9(12)7-15-10/h2-5,7-8,13H,6H2,1H3
InChIKeyDYAOIGQZJJMCPV-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.31
Rot. Bonds4

About N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine

N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 79420654) has the molecular formula C11H12ClNS2 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID79420654
Molecular FormulaC11H12ClNS2
Molecular Weight257.81 g/mol
Exact Mass257.01
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1cc(Cl)cs1)c1cccs1
InChIInChI=1S/C11H12ClNS2/c1-8(11-3-2-4-14-11)13-6-10-5-9(12)7-15-10/h2-5,7-8,13H,6H2,1H3
InChIKeyDYAOIGQZJJMCPV-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79419287
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 79419831
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
(1R)-1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81377663
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 81398371
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79419624
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 79420654) is N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1cc(Cl)cs1)c1cccs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is DYAOIGQZJJMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS2/c1-8(11-3-2-4-14-11)13-6-10-5-9(12)7-15-10/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 257.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 79420654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).