(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

C14H23NO4 — CID 775205

IUPAC(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(9-16-2)15-8-11-6-12(17-3)14(19-5)13(7-11)18-4/h6-7,10,15H,8-9H2,1-5H3/t10-/m0/s1
InChIKeyCKPZKSIJNFEQTD-JTQLQIEISA-N
MW269.34 g/mol
LogP1.84
Rot. Bonds8

About (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 775205) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID775205
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(9-16-2)15-8-11-6-12(17-3)14(19-5)13(7-11)18-4/h6-7,10,15H,8-9H2,1-5H3/t10-/m0/s1
InChIKeyCKPZKSIJNFEQTD-JTQLQIEISA-N
XLogP1.84
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
CID 62816210
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17292333
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791
2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
CID 103602773
methyl 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 134162229
N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
CID 82714412
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (CID 775205) is (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is COC[C@H](C)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is CKPZKSIJNFEQTD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(9-16-2)15-8-11-6-12(17-3)14(19-5)13(7-11)18-4/h6-7,10,15H,8-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 775205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).