1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H24BrN — CID 19379897

IUPAC1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2ccccc2C1Br
InChIInChI=1S/C16H24BrN/c1-3-11-18(12-4-2)15-10-9-13-7-5-6-8-14(13)16(15)17/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeySVBNMKBCLVUJAF-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.56
Rot. Bonds5

About 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 19379897) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID19379897
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2ccccc2C1Br
InChIInChI=1S/C16H24BrN/c1-3-11-18(12-4-2)15-10-9-13-7-5-6-8-14(13)16(15)17/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeySVBNMKBCLVUJAF-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 19379897) is 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2ccccc2C1Br.
What is the InChIKey of 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SVBNMKBCLVUJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-11-18(12-4-2)15-10-9-13-7-5-6-8-14(13)16(15)17/h5-8,15-16H,3-4,9-12H2,1-2H3.
What are the key properties of 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 310.28 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 19379897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).