2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine

C13H21NO4 — CID 113408887

IUPAC2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine
SMILESCOc1cc(OC(C)(C)CN)cc(OC)c1OC
InChIInChI=1S/C13H21NO4/c1-13(2,8-14)18-9-6-10(15-3)12(17-5)11(7-9)16-4/h6-7H,8,14H2,1-5H3
InChIKeyTXRFQFVNARIYEL-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.83
Rot. Bonds6

About 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine

2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine (PubChem CID 113408887) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine
PubChem CID113408887
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine
SMILESCOc1cc(OC(C)(C)CN)cc(OC)c1OC
InChIInChI=1S/C13H21NO4/c1-13(2,8-14)18-9-6-10(15-3)12(17-5)11(7-9)16-4/h6-7H,8,14H2,1-5H3
InChIKeyTXRFQFVNARIYEL-UHFFFAOYSA-N
XLogP1.83
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
CID 63487662
2-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
CID 104523396
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100
2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 116855607
2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 61265652
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119766
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine?
The IUPAC name of 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine (CID 113408887) is 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine?
The canonical SMILES for 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine is COc1cc(OC(C)(C)CN)cc(OC)c1OC.
What is the InChIKey of 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine?
The InChIKey is TXRFQFVNARIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2,8-14)18-9-6-10(15-3)12(17-5)11(7-9)16-4/h6-7H,8,14H2,1-5H3.
What are the key properties of 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine?
2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,4,5-trimethoxyphenoxy)propan-1-amine is sourced from PubChem (CID 113408887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).