N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine

C17H23NO2 — CID 105177397

IUPACN-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
SMILESCCNC(CCOc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C17H23NO2/c1-3-18-15(13-17-8-5-10-19-17)9-11-20-16-7-4-6-14(2)12-16/h4-8,10,12,15,18H,3,9,11,13H2,1-2H3
InChIKeyBQLWMHWRYHTBQI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.58
Rot. Bonds8

About N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine

N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine (PubChem CID 105177397) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
PubChem CID105177397
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
SMILESCCNC(CCOc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C17H23NO2/c1-3-18-15(13-17-8-5-10-19-17)9-11-20-16-7-4-6-14(2)12-16/h4-8,10,12,15,18H,3,9,11,13H2,1-2H3
InChIKeyBQLWMHWRYHTBQI-UHFFFAOYSA-N
XLogP3.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175045
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
[4-(3-methylphenoxy)-1-phenylbutan-2-yl]hydrazine
CID 105283208
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine (CID 105177397) is N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine is CCNC(CCOc1cccc(C)c1)Cc1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine?
The InChIKey is BQLWMHWRYHTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-18-15(13-17-8-5-10-19-17)9-11-20-16-7-4-6-14(2)12-16/h4-8,10,12,15,18H,3,9,11,13H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine?
N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine is sourced from PubChem (CID 105177397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).