1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine

C15H19NO — CID 105177799

IUPAC1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)Cc2ccoc2)c1
InChIInChI=1S/C15H19NO/c1-12-3-2-4-13(9-12)5-6-15(16)10-14-7-8-17-11-14/h2-4,7-9,11,15H,5-6,10,16H2,1H3
InChIKeyXZXKTXONOQWRSI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.09
Rot. Bonds5

About 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine

1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 105177799) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
PubChem CID105177799
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(N)Cc2ccoc2)c1
InChIInChI=1S/C15H19NO/c1-12-3-2-4-13(9-12)5-6-15(16)10-14-7-8-17-11-14/h2-4,7-9,11,15H,5-6,10,16H2,1H3
InChIKeyXZXKTXONOQWRSI-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-bis(3-methylphenyl)butan-2-amine
CID 62390102
[1-(furan-3-yl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105331898
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
CID 62367106
2-(furan-3-yl)-1-(3-methylphenyl)ethanol
CID 83171478
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
1-(furan-3-yl)octan-2-amine
CID 105029979
5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
CID 114201728
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine (CID 105177799) is 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(N)Cc2ccoc2)c1.
What is the InChIKey of 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is XZXKTXONOQWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-3-2-4-13(9-12)5-6-15(16)10-14-7-8-17-11-14/h2-4,7-9,11,15H,5-6,10,16H2,1H3.
What are the key properties of 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine?
1-(furan-3-yl)-4-(3-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 1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105177799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).