8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine

C16H22BrN — CID 19043207

IUPAC8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine
SMILESCCCN(CCC)C1=Cc2c(Br)cccc2CC1
InChIInChI=1S/C16H22BrN/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-16(17)15(13)12-14/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyVMDHJJVNHYFSQQ-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.86
Rot. Bonds5

About 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine

8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine (PubChem CID 19043207) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine
PubChem CID19043207
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine
SMILESCCCN(CCC)C1=Cc2c(Br)cccc2CC1
InChIInChI=1S/C16H22BrN/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-16(17)15(13)12-14/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyVMDHJJVNHYFSQQ-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine?
The IUPAC name of 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine (CID 19043207) is 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine.
What is the SMILES notation for 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine?
The canonical SMILES for 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine is CCCN(CCC)C1=Cc2c(Br)cccc2CC1.
What is the InChIKey of 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine?
The InChIKey is VMDHJJVNHYFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-16(17)15(13)12-14/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine?
8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine has a molecular weight of 308.26 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-dipropyl-3,4-dihydronaphthalen-2-amine is sourced from PubChem (CID 19043207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).