(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol

C13H21NO4 — CID 51434639

IUPAC(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
SMILESCOc1cc(OC)c(OC)cc1CNC[C@H](C)O
InChIInChI=1S/C13H21NO4/c1-9(15)7-14-8-10-5-12(17-3)13(18-4)6-11(10)16-2/h5-6,9,14-15H,7-8H2,1-4H3/t9-/m0/s1
InChIKeyQFSGNPGPNXEZOJ-VIFPVBQESA-N
MW255.31 g/mol
LogP1.18
Rot. Bonds7

About (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol

(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol (PubChem CID 51434639) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
PubChem CID51434639
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
SMILESCOc1cc(OC)c(OC)cc1CNC[C@H](C)O
InChIInChI=1S/C13H21NO4/c1-9(15)7-14-8-10-5-12(17-3)13(18-4)6-11(10)16-2/h5-6,9,14-15H,7-8H2,1-4H3/t9-/m0/s1
InChIKeyQFSGNPGPNXEZOJ-VIFPVBQESA-N
XLogP1.18
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721310
2-methylsulfinyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115763905
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 115644564
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]but-2-en-1-amine
CID 103605632
2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
CID 16773062
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol (CID 51434639) is (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol is COc1cc(OC)c(OC)cc1CNC[C@H](C)O.
What is the InChIKey of (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol?
The InChIKey is QFSGNPGPNXEZOJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21NO4/c1-9(15)7-14-8-10-5-12(17-3)13(18-4)6-11(10)16-2/h5-6,9,14-15H,7-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol?
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol has a molecular weight of 255.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 51434639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).