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

C16H21NO2 — CID 105177460

IUPAC1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
SMILESCNC(CCOc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C16H21NO2/c1-13-5-3-6-15(11-13)19-10-8-14(17-2)12-16-7-4-9-18-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3
InChIKeyVGSZUMNHYGBPEE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.19
Rot. Bonds7

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

1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine (PubChem CID 105177460) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
PubChem CID105177460
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
SMILESCNC(CCOc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C16H21NO2/c1-13-5-3-6-15(11-13)19-10-8-14(17-2)12-16-7-4-9-18-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3
InChIKeyVGSZUMNHYGBPEE-UHFFFAOYSA-N
XLogP3.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
1-(3-chloro-4-pyridinyl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105157450
1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148345
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 83182874
[4-(3-methylphenoxy)-1-phenylbutan-2-yl]hydrazine
CID 105283208
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine (CID 105177460) is 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine is CNC(CCOc1cccc(C)c1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
The InChIKey is VGSZUMNHYGBPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-5-3-6-15(11-13)19-10-8-14(17-2)12-16-7-4-9-18-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine?
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine is sourced from PubChem (CID 105177460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).