4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol

C18H21NO4 — CID 45219852

IUPAC4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
SMILESCOc1ccc(O)c(CNC2COc3c(cccc3OC)C2)c1
InChIInChI=1S/C18H21NO4/c1-21-15-6-7-16(20)13(9-15)10-19-14-8-12-4-3-5-17(22-2)18(12)23-11-14/h3-7,9,14,19-20H,8,10-11H2,1-2H3
InChIKeyFVNJIIAPJOLZQA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.50
Rot. Bonds5

About 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol

4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol (PubChem CID 45219852) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
PubChem CID45219852
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
SMILESCOc1ccc(O)c(CNC2COc3c(cccc3OC)C2)c1
InChIInChI=1S/C18H21NO4/c1-21-15-6-7-16(20)13(9-15)10-19-14-8-12-4-3-5-17(22-2)18(12)23-11-14/h3-7,9,14,19-20H,8,10-11H2,1-2H3
InChIKeyFVNJIIAPJOLZQA-UHFFFAOYSA-N
XLogP2.50
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]-1-methylquinolin-2-one
CID 131900980
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
2-[(cyclooctylamino)methyl]-4-(2,5-dimethoxyphenyl)phenol
CID 45488585
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 92693113
(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 28851098
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol (CID 45219852) is 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol is COc1ccc(O)c(CNC2COc3c(cccc3OC)C2)c1.
What is the InChIKey of 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol?
The InChIKey is FVNJIIAPJOLZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-6-7-16(20)13(9-15)10-19-14-8-12-4-3-5-17(22-2)18(12)23-11-14/h3-7,9,14,19-20H,8,10-11H2,1-2H3.
What are the key properties of 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol?
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol has a molecular weight of 315.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol is sourced from PubChem (CID 45219852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).