2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C17H19NO2 — CID 114712012

IUPAC2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccccc2OC)Oc2ccccc21
InChIInChI=1S/C17H19NO2/c1-18-14-11-17(13-8-4-5-9-15(13)19-2)20-16-10-6-3-7-12(14)16/h3-10,14,17-18H,11H2,1-2H3
InChIKeyZQSQKAKLJBDYMI-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712012) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712012
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccccc2OC)Oc2ccccc21
InChIInChI=1S/C17H19NO2/c1-18-14-11-17(13-8-4-5-9-15(13)19-2)20-16-10-6-3-7-12(14)16/h3-10,14,17-18H,11H2,1-2H3
InChIKeyZQSQKAKLJBDYMI-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711935
2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712081
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
(4R)-2-(2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946218
2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712078
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114712012) is 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccccc2OC)Oc2ccccc21.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZQSQKAKLJBDYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-14-11-17(13-8-4-5-9-15(13)19-2)20-16-10-6-3-7-12(14)16/h3-10,14,17-18H,11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).