1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine

C19H22FN — CID 83985139

IUPAC1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine
SMILESCCC(N)CC1c2ccccc2CCc2cc(F)ccc21
InChIInChI=1S/C19H22FN/c1-2-16(21)12-19-17-6-4-3-5-13(17)7-8-14-11-15(20)9-10-18(14)19/h3-6,9-11,16,19H,2,7-8,12,21H2,1H3
InChIKeyOZBBBMNJRHXFMA-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.18
Rot. Bonds3

About 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine

1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine (PubChem CID 83985139) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine.

Molecular Properties

Compound Name1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine
PubChem CID83985139
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine
SMILESCCC(N)CC1c2ccccc2CCc2cc(F)ccc21
InChIInChI=1S/C19H22FN/c1-2-16(21)12-19-17-6-4-3-5-13(17)7-8-14-11-15(20)9-10-18(14)19/h3-6,9-11,16,19H,2,7-8,12,21H2,1H3
InChIKeyOZBBBMNJRHXFMA-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine?
The IUPAC name of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine (CID 83985139) is 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine.
What is the SMILES notation for 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine?
The canonical SMILES for 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine is CCC(N)CC1c2ccccc2CCc2cc(F)ccc21.
What is the InChIKey of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine?
The InChIKey is OZBBBMNJRHXFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-2-16(21)12-19-17-6-4-3-5-13(17)7-8-14-11-15(20)9-10-18(14)19/h3-6,9-11,16,19H,2,7-8,12,21H2,1H3.
What are the key properties of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine?
1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine is sourced from PubChem (CID 83985139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).