4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol

C17H15BrN2O — CID 115968064

IUPAC4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C17H15BrN2O/c18-16-8-5-13(17-15(16)2-1-9-20-17)11-19-10-12-3-6-14(21)7-4-12/h1-9,19,21H,10-11H2
InChIKeyMWZRANXWBAJTAK-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.99
Rot. Bonds4

About 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol

4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol (PubChem CID 115968064) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
PubChem CID115968064
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C17H15BrN2O/c18-16-8-5-13(17-15(16)2-1-9-20-17)11-19-10-12-3-6-14(21)7-4-12/h1-9,19,21H,10-11H2
InChIKeyMWZRANXWBAJTAK-UHFFFAOYSA-N
XLogP3.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
3-[(5-bromoquinolin-8-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857696
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 115959257
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol
CID 131987078
2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750052

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol (CID 115968064) is 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol is Oc1ccc(CNCc2ccc(Br)c3cccnc23)cc1.
What is the InChIKey of 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol?
The InChIKey is MWZRANXWBAJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-16-8-5-13(17-15(16)2-1-9-20-17)11-19-10-12-3-6-14(21)7-4-12/h1-9,19,21H,10-11H2.
What are the key properties of 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol?
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol has a molecular weight of 343.22 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115968064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).