4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine

C15H19NO — CID 61077814

IUPAC4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(N)CCc2ccco2)cc1
InChIInChI=1S/C15H19NO/c1-12-4-6-13(7-5-12)11-14(16)8-9-15-3-2-10-17-15/h2-7,10,14H,8-9,11,16H2,1H3
InChIKeyIYTZJWLFKSEABG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.09
Rot. Bonds5

About 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine

4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine (PubChem CID 61077814) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
PubChem CID61077814
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(N)CCc2ccco2)cc1
InChIInChI=1S/C15H19NO/c1-12-4-6-13(7-5-12)11-14(16)8-9-15-3-2-10-17-15/h2-7,10,14H,8-9,11,16H2,1H3
InChIKeyIYTZJWLFKSEABG-UHFFFAOYSA-N
XLogP3.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
CID 105156341
2-[5-(4-methylphenyl)-6-phenylhexyl]furan
CID 156599733
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
1-(furan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 105147818
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine (CID 61077814) is 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine is Cc1ccc(CC(N)CCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is IYTZJWLFKSEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-4-6-13(7-5-12)11-14(16)8-9-15-3-2-10-17-15/h2-7,10,14H,8-9,11,16H2,1H3.
What are the key properties of 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine?
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 61077814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).