N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine

C11H16ClNS — CID 102763969

IUPACN-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc(C)c(Cl)s1)C1CC1
InChIInChI=1S/C11H16ClNS/c1-3-13-10(8-4-5-8)9-6-7(2)11(12)14-9/h6,8,10,13H,3-5H2,1-2H3
InChIKeyBDJJUBZGCWKMHH-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.77
Rot. Bonds4

About N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine

N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine (PubChem CID 102763969) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
PubChem CID102763969
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC NameN-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc(C)c(Cl)s1)C1CC1
InChIInChI=1S/C11H16ClNS/c1-3-13-10(8-4-5-8)9-6-7(2)11(12)14-9/h6,8,10,13H,3-5H2,1-2H3
InChIKeyBDJJUBZGCWKMHH-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butylcyclohexyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763864
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 102764052
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 102764112
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine (CID 102763969) is N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine is CCNC(c1cc(C)c(Cl)s1)C1CC1.
What is the InChIKey of N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine?
The InChIKey is BDJJUBZGCWKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-3-13-10(8-4-5-8)9-6-7(2)11(12)14-9/h6,8,10,13H,3-5H2,1-2H3.
What are the key properties of N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine?
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 102763969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).