(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine

C16H16BrN — CID 10063462

IUPAC(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine
SMILESNCC1c2ccccc2CCc2cc(Br)ccc21
InChIInChI=1S/C16H16BrN/c17-13-7-8-15-12(9-13)6-5-11-3-1-2-4-14(11)16(15)10-18/h1-4,7-9,16H,5-6,10,18H2
InChIKeyBSFAXVVEEISITB-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.64
Rot. Bonds1

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

(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine (PubChem CID 10063462) has the molecular formula C16H16BrN and a molecular weight of 302.21 g/mol. Its IUPAC name is (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine.

Molecular Properties

Compound Name(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine
PubChem CID10063462
Molecular FormulaC16H16BrN
Molecular Weight302.21 g/mol
Exact Mass301.05
IUPAC Name(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine
SMILESNCC1c2ccccc2CCc2cc(Br)ccc21
InChIInChI=1S/C16H16BrN/c17-13-7-8-15-12(9-13)6-5-11-3-1-2-4-14(11)16(15)10-18/h1-4,7-9,16H,5-6,10,18H2
InChIKeyBSFAXVVEEISITB-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine?
The IUPAC name of (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine (CID 10063462) is (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine.
What is the SMILES notation for (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine?
The canonical SMILES for (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine is NCC1c2ccccc2CCc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine?
The InChIKey is BSFAXVVEEISITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c17-13-7-8-15-12(9-13)6-5-11-3-1-2-4-14(11)16(15)10-18/h1-4,7-9,16H,5-6,10,18H2.
What are the key properties of (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine?
(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine has a molecular weight of 302.21 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine is sourced from PubChem (CID 10063462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).