[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol

C16H19BrN2O — CID 106538971

IUPAC[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C16H19BrN2O/c17-15-6-2-5-14-13(15)7-8-18-16(14)19-9-11-3-1-4-12(11)10-20/h2,5-8,11-12,20H,1,3-4,9-10H2,(H,18,19)
InChIKeyAPZCGPIFICAWEK-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.82
Rot. Bonds4

About [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol

[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 106538971) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
PubChem CID106538971
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C16H19BrN2O/c17-15-6-2-5-14-13(15)7-8-18-16(14)19-9-11-3-1-4-12(11)10-20/h2,5-8,11-12,20H,1,3-4,9-10H2,(H,18,19)
InChIKeyAPZCGPIFICAWEK-UHFFFAOYSA-N
XLogP3.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
CID 106538976
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
CID 103847139
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 103888779
5-bromo-N-[[2-(chloromethyl)cyclohexyl]methyl]isoquinolin-1-amine
CID 106542787
5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
CID 106540424
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
CID 106538925
N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
3-[(5-bromoisoquinolin-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 103888994
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
5-[(5-bromoisoquinolin-1-yl)amino]pentanamide
CID 106238554
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80923968

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol (CID 106538971) is [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol is OCC1CCCC1CNc1nccc2c(Br)cccc12.
What is the InChIKey of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is APZCGPIFICAWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-15-6-2-5-14-13(15)7-8-18-16(14)19-9-11-3-1-4-12(11)10-20/h2,5-8,11-12,20H,1,3-4,9-10H2,(H,18,19).
What are the key properties of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 335.25 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 106538971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).