6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline

C13H16BrN — CID 84738511

IUPAC6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESBrc1ccc2c(c1)CCN(CC1CC1)C2
InChIInChI=1S/C13H16BrN/c14-13-4-3-12-9-15(8-10-1-2-10)6-5-11(12)7-13/h3-4,7,10H,1-2,5-6,8-9H2
InChIKeyTYNFUFAMBWVCBY-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.22
Rot. Bonds2

About 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline

6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 84738511) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID84738511
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESBrc1ccc2c(c1)CCN(CC1CC1)C2
InChIInChI=1S/C13H16BrN/c14-13-4-3-12-9-15(8-10-1-2-10)6-5-11(12)7-13/h3-4,7,10H,1-2,5-6,8-9H2
InChIKeyTYNFUFAMBWVCBY-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline 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 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline (CID 84738511) is 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline is Brc1ccc2c(c1)CCN(CC1CC1)C2.
What is the InChIKey of 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is TYNFUFAMBWVCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-13-4-3-12-9-15(8-10-1-2-10)6-5-11(12)7-13/h3-4,7,10H,1-2,5-6,8-9H2.
What are the key properties of 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline?
6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 266.18 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 84738511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).