2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol

C13H21NO4 — CID 112514738

IUPAC2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
SMILESCNC(C)C(O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO4/c1-8(14-2)12(15)9-6-10(16-3)13(18-5)11(7-9)17-4/h6-8,12,14-15H,1-5H3
InChIKeyZIFCWOHXQLYPAT-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.35
Rot. Bonds6

About 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol

2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol (PubChem CID 112514738) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
PubChem CID112514738
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
SMILESCNC(C)C(O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO4/c1-8(14-2)12(15)9-6-10(16-3)13(18-5)11(7-9)17-4/h6-8,12,14-15H,1-5H3
InChIKeyZIFCWOHXQLYPAT-UHFFFAOYSA-N
XLogP1.35
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
4-(methylamino)-1-(3,4,5-trimethoxyphenyl)butane-1,2-diol
CID 171891111
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[(1R,2R)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-7-oxooctanamide
CID 134398431
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
(1S,2S)-1-(3-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10247286
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
5-(1-hydroxyethyl)-2,3-dimethoxybenzonitrile
CID 117295608
3,4-dihydroxy-4-(3,4,5-trimethoxyphenyl)butanenitrile
CID 171901859

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol (CID 112514738) is 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol is CNC(C)C(O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol?
The InChIKey is ZIFCWOHXQLYPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8(14-2)12(15)9-6-10(16-3)13(18-5)11(7-9)17-4/h6-8,12,14-15H,1-5H3.
What are the key properties of 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol?
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 112514738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).