N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C13H16ClNS2 — CID 78963416

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C13H16ClNS2/c1-13(2,11-4-3-7-16-11)9-15-8-10-5-6-12(14)17-10/h3-7,15H,8-9H2,1-2H3
InChIKeyUYGSNHUEKKETMH-UHFFFAOYSA-N
MW285.87 g/mol
LogP4.53
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 78963416) has the molecular formula C13H16ClNS2 and a molecular weight of 285.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID78963416
Molecular FormulaC13H16ClNS2
Molecular Weight285.87 g/mol
Exact Mass285.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C13H16ClNS2/c1-13(2,11-4-3-7-16-11)9-15-8-10-5-6-12(14)17-10/h3-7,15H,8-9H2,1-2H3
InChIKeyUYGSNHUEKKETMH-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963193
4-[(5-chlorothiophen-2-yl)methylamino]-3,3-dimethylbutanoic acid
CID 115220330
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963168
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 78963416) is N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCc1ccc(Cl)s1)c1cccs1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is UYGSNHUEKKETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS2/c1-13(2,11-4-3-7-16-11)9-15-8-10-5-6-12(14)17-10/h3-7,15H,8-9H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 285.87 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 78963416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).