2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol

C20H26N2O3 — CID 10783507

IUPAC2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESCc1c(N)cccc1OCCCNCC1CCc2ccc(O)cc2O1
InChIInChI=1S/C20H26N2O3/c1-14-18(21)4-2-5-19(14)24-11-3-10-22-13-17-9-7-15-6-8-16(23)12-20(15)25-17/h2,4-6,8,12,17,22-23H,3,7,9-11,13,21H2,1H3
InChIKeyJMHOWYVJMKHOJR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.04
Rot. Bonds7

About 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol

2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol (PubChem CID 10783507) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
PubChem CID10783507
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESCc1c(N)cccc1OCCCNCC1CCc2ccc(O)cc2O1
InChIInChI=1S/C20H26N2O3/c1-14-18(21)4-2-5-19(14)24-11-3-10-22-13-17-9-7-15-6-8-16(23)12-20(15)25-17/h2,4-6,8,12,17,22-23H,3,7,9-11,13,21H2,1H3
InChIKeyJMHOWYVJMKHOJR-UHFFFAOYSA-N
XLogP3.04
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
CID 10113997
ethyl 3-[(2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]propanoate
CID 129390994
bis[2-[(pentylamino)methyl]-3,4-dihydro-2H-chromen-7-yl] oxalate
CID 70054549
2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
CID 91460108
N-[2-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide
CID 10591372
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol
CID 142228186
2-methyl-3-propoxyaniline
CID 23134606
3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline
CID 123793833
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 57099977
2-[[3-(3-aminophenoxy)propylamino]methyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 19891053

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol (CID 10783507) is 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol is Cc1c(N)cccc1OCCCNCC1CCc2ccc(O)cc2O1.
What is the InChIKey of 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is JMHOWYVJMKHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-18(21)4-2-5-19(14)24-11-3-10-22-13-17-9-7-15-6-8-16(23)12-20(15)25-17/h2,4-6,8,12,17,22-23H,3,7,9-11,13,21H2,1H3.
What are the key properties of 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 342.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 10783507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).