1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine

C18H23NO — CID 105162710

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)CC1Cc2ccccc21
InChIInChI=1S/C18H23NO/c1-2-19-16(9-10-17-7-5-11-20-17)13-15-12-14-6-3-4-8-18(14)15/h3-8,11,15-16,19H,2,9-10,12-13H2,1H3
InChIKeyNXTHDSKLBIBYTF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.92
Rot. Bonds7

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine (PubChem CID 105162710) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
PubChem CID105162710
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)CC1Cc2ccccc21
InChIInChI=1S/C18H23NO/c1-2-19-16(9-10-17-7-5-11-20-17)13-15-12-14-6-3-4-8-18(14)15/h3-8,11,15-16,19H,2,9-10,12-13H2,1H3
InChIKeyNXTHDSKLBIBYTF-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105162886
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105319294
1-cyclopentyl-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105138868
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 66418997
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-(thian-4-yl)propan-2-amine
CID 105162885
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4,6,6-trimethylheptan-2-amine
CID 105003611
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105003444
N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
CID 105152508
1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105116408
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
CID 105205768

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine (CID 105162710) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine is CCNC(CCc1ccco1)CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The InChIKey is NXTHDSKLBIBYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-19-16(9-10-17-7-5-11-20-17)13-15-12-14-6-3-4-8-18(14)15/h3-8,11,15-16,19H,2,9-10,12-13H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 105162710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).