3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine

C14H23NO — CID 104881788

IUPAC3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCOCC(C)CN[C@H](C)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-11(10-16-4)9-15-13(3)14-8-6-5-7-12(14)2/h5-8,11,13,15H,9-10H2,1-4H3/t11?,13-/m1/s1
InChIKeySCXFPWFTIFTJPQ-GLGOKHISSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds6

About 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine

3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 104881788) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID104881788
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCOCC(C)CN[C@H](C)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-11(10-16-4)9-15-13(3)14-8-6-5-7-12(14)2/h5-8,11,13,15H,9-10H2,1-4H3/t11?,13-/m1/s1
InChIKeySCXFPWFTIFTJPQ-GLGOKHISSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632479
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255
2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
CID 60647997
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
N-(2-methoxyethyl)-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 60641541
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 115970779

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine (CID 104881788) is 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine is COCC(C)CN[C@H](C)c1ccccc1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is SCXFPWFTIFTJPQ-GLGOKHISSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(10-16-4)9-15-13(3)14-8-6-5-7-12(14)2/h5-8,11,13,15H,9-10H2,1-4H3/t11?,13-/m1/s1.
What are the key properties of 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine?
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 104881788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).