3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol

C15H19BrN2O — CID 115968214

IUPAC3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O/c1-15(2,7-9-19)18-10-11-5-6-13(16)12-4-3-8-17-14(11)12/h3-6,8,18-19H,7,9-10H2,1-2H3
InChIKeyNPZKVYZKXYHNGG-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.25
Rot. Bonds5

About 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol

3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 115968214) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
PubChem CID115968214
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O/c1-15(2,7-9-19)18-10-11-5-6-13(16)12-4-3-8-17-14(11)12/h3-6,8,18-19H,7,9-10H2,1-2H3
InChIKeyNPZKVYZKXYHNGG-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
3-[(5-bromoquinolin-8-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857696
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylpentan-1-ol
CID 103774861
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 115959416
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
3-[(5-chloroquinolin-8-yl)methylamino]-3-methylbutanamide
CID 104580103
2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750052

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol (CID 115968214) is 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol is CC(C)(CCO)NCc1ccc(Br)c2cccnc12.
What is the InChIKey of 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is NPZKVYZKXYHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-15(2,7-9-19)18-10-11-5-6-13(16)12-4-3-8-17-14(11)12/h3-6,8,18-19H,7,9-10H2,1-2H3.
What are the key properties of 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol?
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 323.23 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115968214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).