7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine

C17H17BrN2 — CID 84608646

IUPAC7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine
SMILESNC1CC2CCN(c3ccc(Br)cc3)c3cccc1c32
InChIInChI=1S/C17H17BrN2/c18-12-4-6-13(7-5-12)20-9-8-11-10-15(19)14-2-1-3-16(20)17(11)14/h1-7,11,15H,8-10,19H2
InChIKeyYKSRDZFGEHCSIB-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.48
Rot. Bonds1

About 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine

7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine (PubChem CID 84608646) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine.

Molecular Properties

Compound Name7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine
PubChem CID84608646
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine
SMILESNC1CC2CCN(c3ccc(Br)cc3)c3cccc1c32
InChIInChI=1S/C17H17BrN2/c18-12-4-6-13(7-5-12)20-9-8-11-10-15(19)14-2-1-3-16(20)17(11)14/h1-7,11,15H,8-10,19H2
InChIKeyYKSRDZFGEHCSIB-UHFFFAOYSA-N
XLogP4.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 118368449
3-amino-1-(4-bromophenyl)piperidin-2-one
CID 22313458
tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
CID 63823189
2-(3-bromophenyl)-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
CID 84608640
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
CID 124678513
(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine
CID 150696992
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
6-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-1,6-benzodiazocine
CID 117015772
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 83843274
(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine
CID 131028254

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine?
The IUPAC name of 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine (CID 84608646) is 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine.
What is the SMILES notation for 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine?
The canonical SMILES for 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine is NC1CC2CCN(c3ccc(Br)cc3)c3cccc1c32.
What is the InChIKey of 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine?
The InChIKey is YKSRDZFGEHCSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c18-12-4-6-13(7-5-12)20-9-8-11-10-15(19)14-2-1-3-16(20)17(11)14/h1-7,11,15H,8-10,19H2.
What are the key properties of 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine?
7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine has a molecular weight of 329.24 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-amine is sourced from PubChem (CID 84608646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).