3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine

C10H13BrN2 — CID 14722568

IUPAC3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine
SMILESCc1nc2c(c(N)c1Br)CCCC2
InChIInChI=1S/C10H13BrN2/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-5H2,1H3,(H2,12,13)
InChIKeyQCNKOYYDLPXGND-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.61
Rot. Bonds

About 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine

3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine (PubChem CID 14722568) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine
PubChem CID14722568
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine
SMILESCc1nc2c(c(N)c1Br)CCCC2
InChIInChI=1S/C10H13BrN2/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-5H2,1H3,(H2,12,13)
InChIKeyQCNKOYYDLPXGND-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine?
The IUPAC name of 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine (CID 14722568) is 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine.
What is the SMILES notation for 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine?
The canonical SMILES for 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine is Cc1nc2c(c(N)c1Br)CCCC2.
What is the InChIKey of 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine?
The InChIKey is QCNKOYYDLPXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-5H2,1H3,(H2,12,13).
What are the key properties of 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine?
3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine has a molecular weight of 241.13 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine is sourced from PubChem (CID 14722568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).