N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine

C18H21NO2 — CID 44593687

IUPACN-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCNC[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C
InChIInChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18-/m1/s1
InChIKeyAROKURNCLIVVKP-RDTXWAMCSA-N
MW283.37 g/mol
LogP3.34
Rot. Bonds4

About N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine

N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (PubChem CID 44593687) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
PubChem CID44593687
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCNC[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C
InChIInChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18-/m1/s1
InChIKeyAROKURNCLIVVKP-RDTXWAMCSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (CID 44593687) is N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is CNC[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C.
What is the InChIKey of N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The InChIKey is AROKURNCLIVVKP-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is sourced from PubChem (CID 44593687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).