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

C18H21NO2 — CID 114712081

IUPAC2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(OC)c(C)c2)Oc2ccccc21
InChIInChI=1S/C18H21NO2/c1-12-10-13(8-9-16(12)20-3)18-11-15(19-2)14-6-4-5-7-17(14)21-18/h4-10,15,18-19H,11H2,1-3H3
InChIKeyAQGIFIBPEGTHRT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.79
Rot. Bonds3

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

2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712081) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712081
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(OC)c(C)c2)Oc2ccccc21
InChIInChI=1S/C18H21NO2/c1-12-10-13(8-9-16(12)20-3)18-11-15(19-2)14-6-4-5-7-17(14)21-18/h4-10,15,18-19H,11H2,1-3H3
InChIKeyAQGIFIBPEGTHRT-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.79
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-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012
2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712078
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
(4S)-2-(3-bromo-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945825
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
(4S)-7-bromo-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949593
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114712081) is 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(OC)c(C)c2)Oc2ccccc21.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AQGIFIBPEGTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-10-13(8-9-16(12)20-3)18-11-15(19-2)14-6-4-5-7-17(14)21-18/h4-10,15,18-19H,11H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).