2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine

C17H29NO2 — CID 62444557

IUPAC2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)COCCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-14(2)13-19-9-10-20-16-8-6-7-15(11-16)12-18-17(3,4)5/h6-8,11,14,18H,9-10,12-13H2,1-5H3
InChIKeyXQAURUSYGFJRHP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.63
Rot. Bonds8

About 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62444557) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62444557
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)COCCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-14(2)13-19-9-10-20-16-8-6-7-15(11-16)12-18-17(3,4)5/h6-8,11,14,18H,9-10,12-13H2,1-5H3
InChIKeyXQAURUSYGFJRHP-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 82007119
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
CID 55192326
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[[5-chloro-6-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106449522
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine (CID 62444557) is 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine is CC(C)COCCOc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is XQAURUSYGFJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)13-19-9-10-20-16-8-6-7-15(11-16)12-18-17(3,4)5/h6-8,11,14,18H,9-10,12-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62444557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).