(7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C16H22BrN — CID 115057906

IUPAC(7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESNCC1CCc2ccc(Br)cc2C1C1CCCC1
InChIInChI=1S/C16H22BrN/c17-14-8-7-11-5-6-13(10-18)16(15(11)9-14)12-3-1-2-4-12/h7-9,12-13,16H,1-6,10,18H2
InChIKeyDGLMSDKFVLKSBH-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.24
Rot. Bonds2

About (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 115057906) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID115057906
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name(7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESNCC1CCc2ccc(Br)cc2C1C1CCCC1
InChIInChI=1S/C16H22BrN/c17-14-8-7-11-5-6-13(10-18)16(15(11)9-14)12-3-1-2-4-12/h7-9,12-13,16H,1-6,10,18H2
InChIKeyDGLMSDKFVLKSBH-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 115057906) is (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is NCC1CCc2ccc(Br)cc2C1C1CCCC1.
What is the InChIKey of (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is DGLMSDKFVLKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c17-14-8-7-11-5-6-13(10-18)16(15(11)9-14)12-3-1-2-4-12/h7-9,12-13,16H,1-6,10,18H2.
What are the key properties of (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 308.26 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-cyclopentyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).