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

C19H23NO2 — CID 44587384

IUPACN,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCc1ccccc1O[C@H]1c2ccccc2OC[C@H]1CN(C)C
InChIInChI=1S/C19H23NO2/c1-14-8-4-6-10-17(14)22-19-15(12-20(2)3)13-21-18-11-7-5-9-16(18)19/h4-11,15,19H,12-13H2,1-3H3/t15-,19-/m1/s1
InChIKeyDIEUHEQWLCVFKO-DNVCBOLYSA-N
MW297.40 g/mol
LogP3.69
Rot. Bonds4

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

N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (PubChem CID 44587384) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
PubChem CID44587384
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
SMILESCc1ccccc1O[C@H]1c2ccccc2OC[C@H]1CN(C)C
InChIInChI=1S/C19H23NO2/c1-14-8-4-6-10-17(14)22-19-15(12-20(2)3)13-21-18-11-7-5-9-16(18)19/h4-11,15,19H,12-13H2,1-3H3/t15-,19-/m1/s1
InChIKeyDIEUHEQWLCVFKO-DNVCBOLYSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine (CID 44587384) is N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is Cc1ccccc1O[C@H]1c2ccccc2OC[C@H]1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
The InChIKey is DIEUHEQWLCVFKO-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-8-4-6-10-17(14)22-19-15(12-20(2)3)13-21-18-11-7-5-9-16(18)19/h4-11,15,19H,12-13H2,1-3H3/t15-,19-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine?
N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine has a molecular weight of 297.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine is sourced from PubChem (CID 44587384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).