N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine

C17H29NO2 — CID 62108762

IUPACN-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCOCCCOC(CNC(C)(C)C)c1ccccc1C
InChIInChI=1S/C17H29NO2/c1-14-9-6-7-10-15(14)16(13-18-17(2,3)4)20-12-8-11-19-5/h6-7,9-10,16,18H,8,11-13H2,1-5H3
InChIKeyBLIPGQGZKKZVNP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.48
Rot. Bonds8

About N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine

N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 62108762) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
PubChem CID62108762
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCOCCCOC(CNC(C)(C)C)c1ccccc1C
InChIInChI=1S/C17H29NO2/c1-14-9-6-7-10-15(14)16(13-18-17(2,3)4)20-12-8-11-19-5/h6-7,9-10,16,18H,8,11-13H2,1-5H3
InChIKeyBLIPGQGZKKZVNP-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-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-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62108236
N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108054
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
CID 106667108
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252
N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
CID 106667087
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine (CID 62108762) is N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine is COCCCOC(CNC(C)(C)C)c1ccccc1C.
What is the InChIKey of N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is BLIPGQGZKKZVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14-9-6-7-10-15(14)16(13-18-17(2,3)4)20-12-8-11-19-5/h6-7,9-10,16,18H,8,11-13H2,1-5H3.
What are the key properties of N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine?
N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).