N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine

C13H16ClNO2S — CID 79420297

IUPACN-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESClc1csc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C13H16ClNO2S/c14-11-7-13(18-10-11)8-15-4-2-5-16-9-12-3-1-6-17-12/h1,3,6-7,10,15H,2,4-5,8-9H2
InChIKeyFOPMSRJCRXGRLM-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.69
Rot. Bonds8

About N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine (PubChem CID 79420297) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
PubChem CID79420297
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESClc1csc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C13H16ClNO2S/c14-11-7-13(18-10-11)8-15-4-2-5-16-9-12-3-1-6-17-12/h1,3,6-7,10,15H,2,4-5,8-9H2
InChIKeyFOPMSRJCRXGRLM-UHFFFAOYSA-N
XLogP3.69
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.69
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

3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 78959610
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
CID 62565568
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 79832671
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
1-[(4-bromothiophen-2-yl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398573
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 54976458
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
3-(furan-2-ylmethoxy)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102909348
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine (CID 79420297) is N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine is Clc1csc(CNCCCOCc2ccco2)c1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The InChIKey is FOPMSRJCRXGRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c14-11-7-13(18-10-11)8-15-4-2-5-16-9-12-3-1-6-17-12/h1,3,6-7,10,15H,2,4-5,8-9H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine has a molecular weight of 285.80 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 79420297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).