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

C17H21BrN2O — CID 106538976

IUPAC[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C17H21BrN2O/c18-16-7-3-6-15-14(16)8-9-19-17(15)20-10-12-4-1-2-5-13(12)11-21/h3,6-9,12-13,21H,1-2,4-5,10-11H2,(H,19,20)
InChIKeyJYUKXGQTEIBRFE-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.21
Rot. Bonds4

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

[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 106538976) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
PubChem CID106538976
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C17H21BrN2O/c18-16-7-3-6-15-14(16)8-9-19-17(15)20-10-12-4-1-2-5-13(12)11-21/h3,6-9,12-13,21H,1-2,4-5,10-11H2,(H,19,20)
InChIKeyJYUKXGQTEIBRFE-UHFFFAOYSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538971
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 103888779
5-bromo-N-[[2-(chloromethyl)cyclohexyl]methyl]isoquinolin-1-amine
CID 106542787
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
CID 103847139
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
5-[(5-bromoisoquinolin-1-yl)amino]pentanamide
CID 106238554
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol (CID 106538976) is [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol is OCC1CCCCC1CNc1nccc2c(Br)cccc12.
What is the InChIKey of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is JYUKXGQTEIBRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-16-7-3-6-15-14(16)8-9-19-17(15)20-10-12-4-1-2-5-13(12)11-21/h3,6-9,12-13,21H,1-2,4-5,10-11H2,(H,19,20).
What are the key properties of [2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol?
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 349.27 g/mol, XLogP of 4.21, 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]cyclohexyl]methanol is sourced from PubChem (CID 106538976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).