2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol

C16H19BrN2O — CID 114750052

IUPAC2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ccc(Br)c3cccnc23)CC1
InChIInChI=1S/C16H19BrN2O/c17-14-4-3-12(15-13(14)2-1-8-19-15)10-18-11-16(5-6-16)7-9-20/h1-4,8,18,20H,5-7,9-11H2
InChIKeyXYRDJHKQQILKGC-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.25
Rot. Bonds6

About 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750052) has the molecular formula C16H19BrN2O and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750052
Molecular FormulaC16H19BrN2O
Molecular Weight335.24 g/mol
Exact Mass334.07
IUPAC Name2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ccc(Br)c3cccnc23)CC1
InChIInChI=1S/C16H19BrN2O/c17-14-4-3-12(15-13(14)2-1-8-19-15)10-18-11-16(5-6-16)7-9-20/h1-4,8,18,20H,5-7,9-11H2
InChIKeyXYRDJHKQQILKGC-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268154
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
3-[(5-bromoquinolin-8-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857696
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
CID 115968214
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzene-1,2-diol
CID 114756017
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol (CID 114750052) is 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol is OCCC1(CNCc2ccc(Br)c3cccnc23)CC1.
What is the InChIKey of 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is XYRDJHKQQILKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-14-4-3-12(15-13(14)2-1-8-19-15)10-18-11-16(5-6-16)7-9-20/h1-4,8,18,20H,5-7,9-11H2.
What are the key properties of 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 335.24 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).