N-[2-(1-phenylethoxy)ethyl]propan-1-amine

C13H21NO — CID 62444581

IUPACN-[2-(1-phenylethoxy)ethyl]propan-1-amine
SMILESCCCNCCOC(C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-3-9-14-10-11-15-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyVWGIUZLXLUXPBF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(1-phenylethoxy)ethyl]propan-1-amine

N-[2-(1-phenylethoxy)ethyl]propan-1-amine (PubChem CID 62444581) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(1-phenylethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-phenylethoxy)ethyl]propan-1-amine
PubChem CID62444581
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[2-(1-phenylethoxy)ethyl]propan-1-amine
SMILESCCCNCCOC(C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-3-9-14-10-11-15-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyVWGIUZLXLUXPBF-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
3,3-dimethyl-N-[2-(1-phenylethoxy)ethyl]butan-1-amine
CID 62567303
1-pentoxyethylbenzene;hydrate
CID 174634303
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
1-(2-bromoethoxy)ethylbenzene
CID 24688557
N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62443630
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438
2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088052
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088099
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-phenylethoxy)ethyl]propan-1-amine (CID 62444581) is N-[2-(1-phenylethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-phenylethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-phenylethoxy)ethyl]propan-1-amine is CCCNCCOC(C)c1ccccc1.
What is the InChIKey of N-[2-(1-phenylethoxy)ethyl]propan-1-amine?
The InChIKey is VWGIUZLXLUXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-9-14-10-11-15-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of N-[2-(1-phenylethoxy)ethyl]propan-1-amine?
N-[2-(1-phenylethoxy)ethyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 62444581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).