N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine

C12H18ClNS — CID 114757595

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine
SMILESClCCC1(CNCCc2ccsc2)CC1
InChIInChI=1S/C12H18ClNS/c13-6-5-12(3-4-12)10-14-7-1-11-2-8-15-9-11/h2,8-9,14H,1,3-7,10H2
InChIKeyFSUAQSVFWNBVGT-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.29
Rot. Bonds7

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine (PubChem CID 114757595) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine
PubChem CID114757595
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine
SMILESClCCC1(CNCCc2ccsc2)CC1
InChIInChI=1S/C12H18ClNS/c13-6-5-12(3-4-12)10-14-7-1-11-2-8-15-9-11/h2,8-9,14H,1,3-7,10H2
InChIKeyFSUAQSVFWNBVGT-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
CID 114756649

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine (CID 114757595) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine is ClCCC1(CNCCc2ccsc2)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine?
The InChIKey is FSUAQSVFWNBVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c13-6-5-12(3-4-12)10-14-7-1-11-2-8-15-9-11/h2,8-9,14H,1,3-7,10H2.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine has a molecular weight of 243.80 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 114757595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).