(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine

C19H23IN2O2 — CID 71726889

IUPAC(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1cc2c(cc1I)-c1ccncc1C(C)O2
InChIInChI=1S/C19H23IN2O2/c1-11(2)6-13(21)10-23-19-8-18-15(7-17(19)20)14-4-5-22-9-16(14)12(3)24-18/h4-5,7-9,11-13H,6,10,21H2,1-3H3/t12?,13-/m0/s1
InChIKeyXAAGIIZWVXBTIN-ABLWVSNPSA-N
MW438.31 g/mol
LogP4.56
Rot. Bonds5

About (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine

(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine (PubChem CID 71726889) has the molecular formula C19H23IN2O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine
PubChem CID71726889
Molecular FormulaC19H23IN2O2
Molecular Weight438.31 g/mol
Exact Mass438.08
IUPAC Name(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1cc2c(cc1I)-c1ccncc1C(C)O2
InChIInChI=1S/C19H23IN2O2/c1-11(2)6-13(21)10-23-19-8-18-15(7-17(19)20)14-4-5-22-9-16(14)12(3)24-18/h4-5,7-9,11-13H,6,10,21H2,1-3H3/t12?,13-/m0/s1
InChIKeyXAAGIIZWVXBTIN-ABLWVSNPSA-N
XLogP4.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine with MolForge

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Related Compounds

8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile
CID 90233211
(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide
CID 157233301
2-amino-4-methyl-N-(5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)pentanamide
CID 90357036
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684
(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
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
(2S)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2S)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;4-bromo-2-but-3-yn-2-yloxybenzaldehyde
CID 159618628
8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one
CID 134520680
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine (CID 71726889) is (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine is CC(C)C[C@H](N)COc1cc2c(cc1I)-c1ccncc1C(C)O2.
What is the InChIKey of (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine?
The InChIKey is XAAGIIZWVXBTIN-ABLWVSNPSA-N. The full InChI is InChI=1S/C19H23IN2O2/c1-11(2)6-13(21)10-23-19-8-18-15(7-17(19)20)14-4-5-22-9-16(14)12(3)24-18/h4-5,7-9,11-13H,6,10,21H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine?
(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine has a molecular weight of 438.31 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine is sourced from PubChem (CID 71726889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).