N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride

C18H24ClNOS — CID 2942144

IUPACN-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride
SMILESCl.c1csc(COc2ccccc2CNC2CCCCC2)c1
InChIInChI=1S/C18H23NOS.ClH/c1-2-8-16(9-3-1)19-13-15-7-4-5-11-18(15)20-14-17-10-6-12-21-17;/h4-7,10-12,16,19H,1-3,8-9,13-14H2;1H
InChIKeyGNVAYTRLVUXJJM-UHFFFAOYSA-N
MW337.92 g/mol
LogP5.17
Rot. Bonds6

About N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride

N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride (PubChem CID 2942144) has the molecular formula C18H24ClNOS and a molecular weight of 337.92 g/mol. Its IUPAC name is N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride
PubChem CID2942144
Molecular FormulaC18H24ClNOS
Molecular Weight337.92 g/mol
Exact Mass337.13
IUPAC NameN-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride
SMILESCl.c1csc(COc2ccccc2CNC2CCCCC2)c1
InChIInChI=1S/C18H23NOS.ClH/c1-2-8-16(9-3-1)19-13-15-7-4-5-11-18(15)20-14-17-10-6-12-21-17;/h4-7,10-12,16,19H,1-3,8-9,13-14H2;1H
InChIKeyGNVAYTRLVUXJJM-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.92
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride (CID 2942144) is N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride is Cl.c1csc(COc2ccccc2CNC2CCCCC2)c1.
What is the InChIKey of N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride?
The InChIKey is GNVAYTRLVUXJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS.ClH/c1-2-8-16(9-3-1)19-13-15-7-4-5-11-18(15)20-14-17-10-6-12-21-17;/h4-7,10-12,16,19H,1-3,8-9,13-14H2;1H.
What are the key properties of N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride?
N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride has a molecular weight of 337.92 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 2942144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).