3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

C14H20BrN — CID 62934035

IUPAC3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCNC1CC(C)(C)CCc2ccc(Br)cc21
InChIInChI=1S/C14H20BrN/c1-14(2)7-6-10-4-5-11(15)8-12(10)13(9-14)16-3/h4-5,8,13,16H,6-7,9H2,1-3H3
InChIKeyBMPWHXYDRXOFSW-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.07
Rot. Bonds1

About 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 62934035) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID62934035
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCNC1CC(C)(C)CCc2ccc(Br)cc21
InChIInChI=1S/C14H20BrN/c1-14(2)7-6-10-4-5-11(15)8-12(10)13(9-14)16-3/h4-5,8,13,16H,6-7,9H2,1-3H3
InChIKeyBMPWHXYDRXOFSW-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 62934035) is 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is CNC1CC(C)(C)CCc2ccc(Br)cc21.
What is the InChIKey of 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is BMPWHXYDRXOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-14(2)7-6-10-4-5-11(15)8-12(10)13(9-14)16-3/h4-5,8,13,16H,6-7,9H2,1-3H3.
What are the key properties of 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 282.22 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 62934035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).