[3-(3-ethoxypropoxy)phenyl]methanamine

C12H19NO2 — CID 43253998

IUPAC[3-(3-ethoxypropoxy)phenyl]methanamine
SMILESCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C12H19NO2/c1-2-14-7-4-8-15-12-6-3-5-11(9-12)10-13/h3,5-6,9H,2,4,7-8,10,13H2,1H3
InChIKeyCKVYTBCFBLIVNJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.95
Rot. Bonds7

About [3-(3-ethoxypropoxy)phenyl]methanamine

[3-(3-ethoxypropoxy)phenyl]methanamine (PubChem CID 43253998) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-(3-ethoxypropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-ethoxypropoxy)phenyl]methanamine
PubChem CID43253998
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[3-(3-ethoxypropoxy)phenyl]methanamine
SMILESCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C12H19NO2/c1-2-14-7-4-8-15-12-6-3-5-11(9-12)10-13/h3,5-6,9H,2,4,7-8,10,13H2,1H3
InChIKeyCKVYTBCFBLIVNJ-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.95
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

[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
CID 103487057
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
(3-hex-4-enoxyphenyl)methanamine
CID 68779575
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxypropoxy)phenyl]methanamine?
The IUPAC name of [3-(3-ethoxypropoxy)phenyl]methanamine (CID 43253998) is [3-(3-ethoxypropoxy)phenyl]methanamine.
What is the SMILES notation for [3-(3-ethoxypropoxy)phenyl]methanamine?
The canonical SMILES for [3-(3-ethoxypropoxy)phenyl]methanamine is CCOCCCOc1cccc(CN)c1.
What is the InChIKey of [3-(3-ethoxypropoxy)phenyl]methanamine?
The InChIKey is CKVYTBCFBLIVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-14-7-4-8-15-12-6-3-5-11(9-12)10-13/h3,5-6,9H,2,4,7-8,10,13H2,1H3.
What are the key properties of [3-(3-ethoxypropoxy)phenyl]methanamine?
[3-(3-ethoxypropoxy)phenyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxypropoxy)phenyl]methanamine is sourced from PubChem (CID 43253998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).