8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride

C22H26ClNO3 — CID 23622394

IUPAC8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride
SMILESCCC(N)(CC)c1c(OC)ccc2c(=O)c(C)c(-c3ccccc3)oc12.Cl
InChIInChI=1S/C22H25NO3.ClH/c1-5-22(23,6-2)18-17(25-4)13-12-16-19(24)14(3)20(26-21(16)18)15-10-8-7-9-11-15;/h7-13H,5-6,23H2,1-4H3;1H
InChIKeyNYMXXSOKZODVMB-UHFFFAOYSA-N
MW387.91 g/mol
LogP5.17
Rot. Bonds5

About 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride

8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride (PubChem CID 23622394) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride
PubChem CID23622394
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride
SMILESCCC(N)(CC)c1c(OC)ccc2c(=O)c(C)c(-c3ccccc3)oc12.Cl
InChIInChI=1S/C22H25NO3.ClH/c1-5-22(23,6-2)18-17(25-4)13-12-16-19(24)14(3)20(26-21(16)18)15-10-8-7-9-11-15;/h7-13H,5-6,23H2,1-4H3;1H
InChIKeyNYMXXSOKZODVMB-UHFFFAOYSA-N
XLogP5.17
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-aminopentan-3-yl)-4-methoxyphenyl]-3-methylchromen-4-one;hydrochloride
CID 23622392
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
8-amino-3-methyl-2-phenylchromen-4-one
CID 19972808
6-methoxy-7-(6-methoxy-3-methyl-2-phenyl-1-benzofuran-7-yl)-3-methyl-2-phenyl-1-benzofuran
CID 163463358
8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 21159664
8-[2-[2-(2,6-dimethoxyphenyl)ethylamino]ethoxy]-3-methyl-2-phenylchromen-4-one;hydrochloride
CID 24835332
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
8-(chloromethyl)-3-methyl-2-phenylchromen-4-one
CID 19972408
3-(2,6-dimethoxyphenyl)pentan-3-amine
CID 116809908
N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
CID 3050900
3-methyl-8-(methylamino)-2-phenylchromen-4-one
CID 19972540

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride?
The IUPAC name of 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride (CID 23622394) is 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride.
What is the SMILES notation for 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride?
The canonical SMILES for 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride is CCC(N)(CC)c1c(OC)ccc2c(=O)c(C)c(-c3ccccc3)oc12.Cl.
What is the InChIKey of 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride?
The InChIKey is NYMXXSOKZODVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3.ClH/c1-5-22(23,6-2)18-17(25-4)13-12-16-19(24)14(3)20(26-21(16)18)15-10-8-7-9-11-15;/h7-13H,5-6,23H2,1-4H3;1H.
What are the key properties of 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride?
8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride is sourced from PubChem (CID 23622394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).