N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine

C16H20ClNOS — CID 63450559

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
SMILESClc1ccc(C(NCCC2CCCC2)c2ccco2)s1
InChIInChI=1S/C16H20ClNOS/c17-15-8-7-14(20-15)16(13-6-3-11-19-13)18-10-9-12-4-1-2-5-12/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2
InChIKeyALNFPNFWSJNZQQ-UHFFFAOYSA-N
MW309.86 g/mol
LogP5.25
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine (PubChem CID 63450559) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
PubChem CID63450559
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
SMILESClc1ccc(C(NCCC2CCCC2)c2ccco2)s1
InChIInChI=1S/C16H20ClNOS/c17-15-8-7-14(20-15)16(13-6-3-11-19-13)18-10-9-12-4-1-2-5-12/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2
InChIKeyALNFPNFWSJNZQQ-UHFFFAOYSA-N
XLogP5.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.86
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine with MolForge

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Related Compounds

3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 106124333
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106324998
1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 81043163
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
CID 106359817
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine (CID 63450559) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine is Clc1ccc(C(NCCC2CCCC2)c2ccco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine?
The InChIKey is ALNFPNFWSJNZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c17-15-8-7-14(20-15)16(13-6-3-11-19-13)18-10-9-12-4-1-2-5-12/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine has a molecular weight of 309.86 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine is sourced from PubChem (CID 63450559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).