N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine

C17H21NOS — CID 961311

IUPACN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
SMILESc1csc(COc2ccc(CNC3CCCC3)cc2)c1
InChIInChI=1S/C17H21NOS/c1-2-5-15(4-1)18-12-14-7-9-16(10-8-14)19-13-17-6-3-11-20-17/h3,6-11,15,18H,1-2,4-5,12-13H2
InChIKeyPPMZPCSPHFSPQM-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.36
Rot. Bonds6

About N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine (PubChem CID 961311) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
PubChem CID961311
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
SMILESc1csc(COc2ccc(CNC3CCCC3)cc2)c1
InChIInChI=1S/C17H21NOS/c1-2-5-15(4-1)18-12-14-7-9-16(10-8-14)19-13-17-6-3-11-20-17/h3,6-11,15,18H,1-2,4-5,12-13H2
InChIKeyPPMZPCSPHFSPQM-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 4715574
N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60882902
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486

Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine (CID 961311) is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine is c1csc(COc2ccc(CNC3CCCC3)cc2)c1.
What is the InChIKey of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
The InChIKey is PPMZPCSPHFSPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-5-15(4-1)18-12-14-7-9-16(10-8-14)19-13-17-6-3-11-20-17/h3,6-11,15,18H,1-2,4-5,12-13H2.
What are the key properties of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine?
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine has a molecular weight of 287.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 961311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).