1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine

C18H23NO2 — CID 62715506

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine
SMILESCNC(COc1ccccc1)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H23NO2/c1-14-9-10-18(20-3)15(11-14)12-16(19-2)13-21-17-7-5-4-6-8-17/h4-11,16,19H,12-13H2,1-3H3
InChIKeyAKFGZYCYWPWCNG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine

1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine (PubChem CID 62715506) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine
PubChem CID62715506
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine
SMILESCNC(COc1ccccc1)Cc1cc(C)ccc1OC
InChIInChI=1S/C18H23NO2/c1-14-9-10-18(20-3)15(11-14)12-16(19-2)13-21-17-7-5-4-6-8-17/h4-11,16,19H,12-13H2,1-3H3
InChIKeyAKFGZYCYWPWCNG-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 62160862
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-phenylpropan-2-amine
CID 62160348
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135466
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
CID 106680529
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine (CID 62715506) is 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine is CNC(COc1ccccc1)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine?
The InChIKey is AKFGZYCYWPWCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-9-10-18(20-3)15(11-14)12-16(19-2)13-21-17-7-5-4-6-8-17/h4-11,16,19H,12-13H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine?
1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine is sourced from PubChem (CID 62715506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).