N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine

C15H17BrN2 — CID 112617689

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
SMILESCC(NCc1ccc(Br)c2cccnc12)C1CC1
InChIInChI=1S/C15H17BrN2/c1-10(11-4-5-11)18-9-12-6-7-14(16)13-3-2-8-17-15(12)13/h2-3,6-8,10-11,18H,4-5,9H2,1H3
InChIKeyWVIZLPNOMWCZJM-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.89
Rot. Bonds4

About N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine

N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine (PubChem CID 112617689) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
PubChem CID112617689
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
SMILESCC(NCc1ccc(Br)c2cccnc12)C1CC1
InChIInChI=1S/C15H17BrN2/c1-10(11-4-5-11)18-9-12-6-7-14(16)13-3-2-8-17-15(12)13/h2-3,6-8,10-11,18H,4-5,9H2,1H3
InChIKeyWVIZLPNOMWCZJM-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
CID 103940764
(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 115959259
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]oxan-4-amine
CID 112617700
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine (CID 112617689) is N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine is CC(NCc1ccc(Br)c2cccnc12)C1CC1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine?
The InChIKey is WVIZLPNOMWCZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10(11-4-5-11)18-9-12-6-7-14(16)13-3-2-8-17-15(12)13/h2-3,6-8,10-11,18H,4-5,9H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine?
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine is sourced from PubChem (CID 112617689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).