2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine

C13H20ClNS — CID 65398933

IUPAC2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
SMILESNC(Cc1ccc(Cl)s1)C1CCCCCC1
InChIInChI=1S/C13H20ClNS/c14-13-8-7-11(16-13)9-12(15)10-5-3-1-2-4-6-10/h7-8,10,12H,1-6,9,15H2
InChIKeyCKIYZXWGKUCXRX-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.24
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine

2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine (PubChem CID 65398933) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
PubChem CID65398933
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
SMILESNC(Cc1ccc(Cl)s1)C1CCCCCC1
InChIInChI=1S/C13H20ClNS/c14-13-8-7-11(16-13)9-12(15)10-5-3-1-2-4-6-10/h7-8,10,12H,1-6,9,15H2
InChIKeyCKIYZXWGKUCXRX-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841569
2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 115841541
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
2-(5-chlorothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 55175088
2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine
CID 79971043
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
2-(5-chlorothiophen-2-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79970087
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine (CID 65398933) is 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine is NC(Cc1ccc(Cl)s1)C1CCCCCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine?
The InChIKey is CKIYZXWGKUCXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c14-13-8-7-11(16-13)9-12(15)10-5-3-1-2-4-6-10/h7-8,10,12H,1-6,9,15H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine?
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine has a molecular weight of 257.83 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine is sourced from PubChem (CID 65398933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).