(5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine

C14H16BrN — CID 115057746

IUPAC(5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine
SMILESCC(C)c1c(CN)ccc2c(Br)cccc12
InChIInChI=1S/C14H16BrN/c1-9(2)14-10(8-16)6-7-11-12(14)4-3-5-13(11)15/h3-7,9H,8,16H2,1-2H3
InChIKeyNUCSJNJOLYGGAC-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.18
Rot. Bonds2

About (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine

(5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine (PubChem CID 115057746) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine
PubChem CID115057746
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name(5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine
SMILESCC(C)c1c(CN)ccc2c(Br)cccc12
InChIInChI=1S/C14H16BrN/c1-9(2)14-10(8-16)6-7-11-12(14)4-3-5-13(11)15/h3-7,9H,8,16H2,1-2H3
InChIKeyNUCSJNJOLYGGAC-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine?
The IUPAC name of (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine (CID 115057746) is (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine?
The canonical SMILES for (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine is CC(C)c1c(CN)ccc2c(Br)cccc12.
What is the InChIKey of (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine?
The InChIKey is NUCSJNJOLYGGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-9(2)14-10(8-16)6-7-11-12(14)4-3-5-13(11)15/h3-7,9H,8,16H2,1-2H3.
What are the key properties of (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine?
(5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine has a molecular weight of 278.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-propan-2-ylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).