1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C13H20ClNS — CID 66475536

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1ccc(Cl)s1)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H20ClNS/c1-12(2)11(13(12,3)4)10(15-5)8-6-7-9(14)16-8/h6-7,10-11,15H,1-5H3
InChIKeyIIRFUVBKZXOYRO-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.34
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 66475536) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID66475536
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1ccc(Cl)s1)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H20ClNS/c1-12(2)11(13(12,3)4)10(15-5)8-6-7-9(14)16-8/h6-7,10-11,15H,1-5H3
InChIKeyIIRFUVBKZXOYRO-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177267
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
(5-chlorothiophen-2-yl)-(methylamino)methanethiol
CID 116954482
1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62798147
1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444894
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-(5-chlorothiophen-2-yl)-1-(3,5-dimethyl-1-adamantyl)-N-methylmethanamine
CID 79999928
1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 105005210
N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477250
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476105
1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 115850452
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 104990570

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 66475536) is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(c1ccc(Cl)s1)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is IIRFUVBKZXOYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-12(2)11(13(12,3)4)10(15-5)8-6-7-9(14)16-8/h6-7,10-11,15H,1-5H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 257.83 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 66475536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).