(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine

C13H21NO3 — CID 775451

IUPAC(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCc1cccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyMSEUQISSMRSQFO-JTQLQIEISA-N
MW239.31 g/mol
LogP1.83
Rot. Bonds7

About (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine

(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 775451) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
PubChem CID775451
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCc1cccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyMSEUQISSMRSQFO-JTQLQIEISA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866
(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine
CID 792105
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
(1S)-1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81356463
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine (CID 775451) is (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine is COC[C@H](C)NCc1cccc(OC)c1OC.
What is the InChIKey of (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is MSEUQISSMRSQFO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-6-5-7-12(16-3)13(11)17-4/h5-7,10,14H,8-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine?
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 775451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).