(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine

C19H24N2O2 — CID 134520684

IUPAC(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
SMILESCc1cc2c(cc1OC[C@@H](N)CC(C)C)COc1cnccc1-2
InChIInChI=1S/C19H24N2O2/c1-12(2)6-15(20)11-23-18-8-14-10-22-19-9-21-5-4-16(19)17(14)7-13(18)3/h4-5,7-9,12,15H,6,10-11,20H2,1-3H3/t15-/m0/s1
InChIKeyGBDFXMGSGBNXBB-HNNXBMFYSA-N
MW312.41 g/mol
LogP3.70
Rot. Bonds5

About (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine

(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine (PubChem CID 134520684) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
PubChem CID134520684
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
SMILESCc1cc2c(cc1OC[C@@H](N)CC(C)C)COc1cnccc1-2
InChIInChI=1S/C19H24N2O2/c1-12(2)6-15(20)11-23-18-8-14-10-22-19-9-21-5-4-16(19)17(14)7-13(18)3/h4-5,7-9,12,15H,6,10-11,20H2,1-3H3/t15-/m0/s1
InChIKeyGBDFXMGSGBNXBB-HNNXBMFYSA-N
XLogP3.70
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-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

9-methyl-8-(4-methylpentoxy)-6H-isochromeno[3,4-c]pyridine
CID 138650721
8-[(2S)-2-amino-4-methylpentoxy]-5H-chromeno[3,4-c]pyridine-9-carbonitrile;tert-butyl N-[(2S)-1-[(9-cyano-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 157242930
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530895
(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine
CID 71726889
(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 71726646
4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 78160429
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile
CID 90233211
2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86695893
8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
CID 130389266

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine (CID 134520684) is (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine is Cc1cc2c(cc1OC[C@@H](N)CC(C)C)COc1cnccc1-2.
What is the InChIKey of (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The InChIKey is GBDFXMGSGBNXBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12(2)6-15(20)11-23-18-8-14-10-22-19-9-21-5-4-16(19)17(14)7-13(18)3/h4-5,7-9,12,15H,6,10-11,20H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine has a molecular weight of 312.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine is sourced from PubChem (CID 134520684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).