N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine

C11H16ClNS — CID 80529262

IUPACN-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CC1C
InChIInChI=1S/C11H16ClNS/c1-3-13-10(8-6-7(8)2)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3
InChIKeyATINNUVLSUFNAI-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.71
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 80529262) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID80529262
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CC1C
InChIInChI=1S/C11H16ClNS/c1-3-13-10(8-6-7(8)2)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3
InChIKeyATINNUVLSUFNAI-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
CID 107360038
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107361656
N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 107361920
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 107360001
N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
CID 107360102
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
N-[(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105012158
N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methyl]ethanamine
CID 80529022
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine
CID 104995867

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine (CID 80529262) is N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1sccc1Cl)C1CC1C.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is ATINNUVLSUFNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-3-13-10(8-6-7(8)2)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 80529262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).