N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H29NO3 — CID 63061280

IUPACN-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OCCOC(C)C)c(CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO3/c1-13(2)20-9-10-21-16-8-7-15(19-6)11-14(16)12-18-17(3,4)5/h7-8,11,13,18H,9-10,12H2,1-6H3
InChIKeyIABAYEMLLGGNHN-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.39
Rot. Bonds8

About N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63061280) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63061280
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(OCCOC(C)C)c(CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO3/c1-13(2)20-9-10-21-16-8-7-15(19-6)11-14(16)12-18-17(3,4)5/h7-8,11,13,18H,9-10,12H2,1-6H3
InChIKeyIABAYEMLLGGNHN-UHFFFAOYSA-N
XLogP3.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61485354
N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062836
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062322
1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54958015
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63061280) is N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine is COc1ccc(OCCOC(C)C)c(CNC(C)(C)C)c1.
What is the InChIKey of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IABAYEMLLGGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)20-9-10-21-16-8-7-15(19-6)11-14(16)12-18-17(3,4)5/h7-8,11,13,18H,9-10,12H2,1-6H3.
What are the key properties of N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63061280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).