1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine

C16H21NO — CID 55087006

IUPAC1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
SMILESCc1ccc(C)c(CC(N)CCc2ccco2)c1
InChIInChI=1S/C16H21NO/c1-12-5-6-13(2)14(10-12)11-15(17)7-8-16-4-3-9-18-16/h3-6,9-10,15H,7-8,11,17H2,1-2H3
InChIKeyYNMPBQAGUXQVJX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.40
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine

1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine (PubChem CID 55087006) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
PubChem CID55087006
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
SMILESCc1ccc(C)c(CC(N)CCc2ccco2)c1
InChIInChI=1S/C16H21NO/c1-12-5-6-13(2)14(10-12)11-15(17)7-8-16-4-3-9-18-16/h3-6,9-10,15H,7-8,11,17H2,1-2H3
InChIKeyYNMPBQAGUXQVJX-UHFFFAOYSA-N
XLogP3.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
[1-(5-fluoro-2-methylphenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105378016
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 40511217
1-(2,5-dimethylphenyl)hex-5-yn-2-amine
CID 115859627
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
1-(2,5-dimethylphenyl)pentan-3-amine
CID 61481640
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
CID 105156341

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine (CID 55087006) is 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine is Cc1ccc(C)c(CC(N)CCc2ccco2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is YNMPBQAGUXQVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-5-6-13(2)14(10-12)11-15(17)7-8-16-4-3-9-18-16/h3-6,9-10,15H,7-8,11,17H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine?
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 55087006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).