1-[4-(3-phenoxypropoxy)phenyl]ethanamine

C17H21NO2 — CID 13012117

IUPAC1-[4-(3-phenoxypropoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(18)15-8-10-17(11-9-15)20-13-5-12-19-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,18H2,1H3
InChIKeyHMZYCOJLYAUXIF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.55
Rot. Bonds7

About 1-[4-(3-phenoxypropoxy)phenyl]ethanamine

1-[4-(3-phenoxypropoxy)phenyl]ethanamine (PubChem CID 13012117) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(3-phenoxypropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-phenoxypropoxy)phenyl]ethanamine
PubChem CID13012117
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-(3-phenoxypropoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(18)15-8-10-17(11-9-15)20-13-5-12-19-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,18H2,1H3
InChIKeyHMZYCOJLYAUXIF-UHFFFAOYSA-N
XLogP3.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.55
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

1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 55190084
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenoxypropoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(3-phenoxypropoxy)phenyl]ethanamine (CID 13012117) is 1-[4-(3-phenoxypropoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(3-phenoxypropoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(3-phenoxypropoxy)phenyl]ethanamine is CC(N)c1ccc(OCCCOc2ccccc2)cc1.
What is the InChIKey of 1-[4-(3-phenoxypropoxy)phenyl]ethanamine?
The InChIKey is HMZYCOJLYAUXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14(18)15-8-10-17(11-9-15)20-13-5-12-19-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,18H2,1H3.
What are the key properties of 1-[4-(3-phenoxypropoxy)phenyl]ethanamine?
1-[4-(3-phenoxypropoxy)phenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenoxypropoxy)phenyl]ethanamine is sourced from PubChem (CID 13012117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).