2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine

C15H25NO2 — CID 62456357

IUPAC2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
SMILESCC(C)CNCCCOCCOc1ccccc1
InChIInChI=1S/C15H25NO2/c1-14(2)13-16-9-6-10-17-11-12-18-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3
InChIKeyPZHJOEIDYOJENG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.72
Rot. Bonds10

About 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine

2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine (PubChem CID 62456357) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
PubChem CID62456357
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
SMILESCC(C)CNCCCOCCOc1ccccc1
InChIInChI=1S/C15H25NO2/c1-14(2)13-16-9-6-10-17-11-12-18-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3
InChIKeyPZHJOEIDYOJENG-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 177320418
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine (CID 62456357) is 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine is CC(C)CNCCCOCCOc1ccccc1.
What is the InChIKey of 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine?
The InChIKey is PZHJOEIDYOJENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2)13-16-9-6-10-17-11-12-18-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine?
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.72, 10 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-phenoxyethoxy)propyl]propan-1-amine is sourced from PubChem (CID 62456357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).