N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine

C14H23NO4 — CID 82719803

IUPACN-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNOC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-15-9-10-7-12(17-5)13(18-6)8-11(10)16-4/h7-8,15H,9H2,1-6H3
InChIKeyKKZMNBNZEZCUPD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.53
Rot. Bonds6

About N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine

N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 82719803) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID82719803
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNOC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-15-9-10-7-12(17-5)13(18-6)8-11(10)16-4/h7-8,15H,9H2,1-6H3
InChIKeyKKZMNBNZEZCUPD-UHFFFAOYSA-N
XLogP2.53
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
3-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentan-3-amine
CID 65039966
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 775198
2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 47084874
N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60590203
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine (CID 82719803) is N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(OC)cc1CNOC(C)(C)C.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is KKZMNBNZEZCUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,3)19-15-9-10-7-12(17-5)13(18-6)8-11(10)16-4/h7-8,15H,9H2,1-6H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine?
N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 82719803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).