3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine

C16H17N3O — CID 62299114

IUPAC3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine
SMILESCN(Cc1ccco1)c1nc(CN)cc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19(11-14-6-4-8-20-14)16-15-7-3-2-5-12(15)9-13(10-17)18-16/h2-9H,10-11,17H2,1H3
InChIKeyXSDPVEBRIKNUAR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds4

About 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine

3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine (PubChem CID 62299114) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine
PubChem CID62299114
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine
SMILESCN(Cc1ccco1)c1nc(CN)cc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19(11-14-6-4-8-20-14)16-15-7-3-2-5-12(15)9-13(10-17)18-16/h2-9H,10-11,17H2,1H3
InChIKeyXSDPVEBRIKNUAR-UHFFFAOYSA-N
XLogP2.92
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine 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-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
CID 63374307
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 55054502
3-(aminomethyl)-N-(furan-2-ylmethyl)-N,4,6-trimethylpyridin-2-amine
CID 61176681
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
3-(aminomethyl)-N-methyl-N-pentylisoquinolin-1-amine
CID 62298772
2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde
CID 43527026
3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
CID 62299999
6-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridazin-3-amine
CID 62301068
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235248
6-ethyl-4-N-(furan-2-ylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324904
[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
CID 106767996
3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine
CID 62299466

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine?
The IUPAC name of 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine (CID 62299114) is 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine is CN(Cc1ccco1)c1nc(CN)cc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine?
The InChIKey is XSDPVEBRIKNUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(11-14-6-4-8-20-14)16-15-7-3-2-5-12(15)9-13(10-17)18-16/h2-9H,10-11,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine?
3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine has a molecular weight of 267.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine is sourced from PubChem (CID 62299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).