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

C12H14ClNO2S — CID 62565568

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
SMILESClc1ccc(CNCCOCc2ccco2)s1
InChIInChI=1S/C12H14ClNO2S/c13-12-4-3-11(17-12)8-14-5-7-15-9-10-2-1-6-16-10/h1-4,6,14H,5,7-9H2
InChIKeyZSRZXESVXCTCDL-UHFFFAOYSA-N
MW271.77 g/mol
LogP3.30
Rot. Bonds7

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

N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine (PubChem CID 62565568) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
PubChem CID62565568
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
SMILESClc1ccc(CNCCOCc2ccco2)s1
InChIInChI=1S/C12H14ClNO2S/c13-12-4-3-11(17-12)8-14-5-7-15-9-10-2-1-6-16-10/h1-4,6,14H,5,7-9H2
InChIKeyZSRZXESVXCTCDL-UHFFFAOYSA-N
XLogP3.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 60690550
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 79420297
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62554030
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine (CID 62565568) is N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine is Clc1ccc(CNCCOCc2ccco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine?
The InChIKey is ZSRZXESVXCTCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-12-4-3-11(17-12)8-14-5-7-15-9-10-2-1-6-16-10/h1-4,6,14H,5,7-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine has a molecular weight of 271.77 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 62565568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).