2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

C17H19NO2 — CID 114709442

IUPAC2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCc1ccc(C2CC(N)c3ccccc3O2)cc1
InChIInChI=1S/C17H19NO2/c1-19-11-12-6-8-13(9-7-12)17-10-15(18)14-4-2-3-5-16(14)20-17/h2-9,15,17H,10-11,18H2,1H3
InChIKeyBKQPZEDHDALHPO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709442) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709442
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOCc1ccc(C2CC(N)c3ccccc3O2)cc1
InChIInChI=1S/C17H19NO2/c1-19-11-12-6-8-13(9-7-12)17-10-15(18)14-4-2-3-5-16(14)20-17/h2-9,15,17H,10-11,18H2,1H3
InChIKeyBKQPZEDHDALHPO-UHFFFAOYSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945818
(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213
2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709530
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(4S)-2-(3-bromo-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945825
(4S)-2-[3-(methoxymethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946428
(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946217
(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946218
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103571287
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (CID 114709442) is 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is COCc1ccc(C2CC(N)c3ccccc3O2)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BKQPZEDHDALHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-11-12-6-8-13(9-7-12)17-10-15(18)14-4-2-3-5-16(14)20-17/h2-9,15,17H,10-11,18H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).