N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline

C13H14ClNS — CID 102976765

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NC(C)c1csc(Cl)c1
InChIInChI=1S/C13H14ClNS/c1-9-5-3-4-6-12(9)15-10(2)11-7-13(14)16-8-11/h3-8,10,15H,1-2H3
InChIKeyWOMGUDWOHDAVKP-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.88
Rot. Bonds3

About N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline

N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline (PubChem CID 102976765) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
PubChem CID102976765
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NC(C)c1csc(Cl)c1
InChIInChI=1S/C13H14ClNS/c1-9-5-3-4-6-12(9)15-10(2)11-7-13(14)16-8-11/h3-8,10,15H,1-2H3
InChIKeyWOMGUDWOHDAVKP-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline
CID 102976853
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
CID 102976770
2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
CID 114082819
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
CID 114082695
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 102976919
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
CID 114082630
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline (CID 102976765) is N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline is Cc1ccccc1NC(C)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline?
The InChIKey is WOMGUDWOHDAVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-5-3-4-6-12(9)15-10(2)11-7-13(14)16-8-11/h3-8,10,15H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline?
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline has a molecular weight of 251.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 102976765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).