N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine

C14H17NO2 — CID 106886886

IUPACN-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(OC)c2)o1
InChIInChI=1S/C14H17NO2/c1-3-15-10-13-7-8-14(17-13)11-5-4-6-12(9-11)16-2/h4-9,15H,3,10H2,1-2H3
InChIKeyPSMFIDLHYZFFHZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.06
Rot. Bonds5

About N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine

N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106886886) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106886886
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(OC)c2)o1
InChIInChI=1S/C14H17NO2/c1-3-15-10-13-7-8-14(17-13)11-5-4-6-12(9-11)16-2/h4-9,15H,3,10H2,1-2H3
InChIKeyPSMFIDLHYZFFHZ-UHFFFAOYSA-N
XLogP3.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-methoxyphenyl)furan-2-yl]methanamine
CID 43826373
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863
N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887121
methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
CID 170884284
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 71611175
2-(4-methoxy-1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 155568249
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine (CID 106886886) is N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2cccc(OC)c2)o1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is PSMFIDLHYZFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-15-10-13-7-8-14(17-13)11-5-4-6-12(9-11)16-2/h4-9,15H,3,10H2,1-2H3.
What are the key properties of N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 231.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106886886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).