[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine

C16H27NO4 — CID 167192586

IUPAC[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
SMILESCCCOCCOCCOCCOc1cccc(CN)c1
InChIInChI=1S/C16H27NO4/c1-2-6-18-7-8-19-9-10-20-11-12-21-16-5-3-4-15(13-16)14-17/h3-5,13H,2,6-12,14,17H2,1H3
InChIKeyMFRPVFNEVAEVFX-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.98
Rot. Bonds13

About [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine

[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine (PubChem CID 167192586) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
PubChem CID167192586
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
SMILESCCCOCCOCCOCCOc1cccc(CN)c1
InChIInChI=1S/C16H27NO4/c1-2-6-18-7-8-19-9-10-20-11-12-21-16-5-3-4-15(13-16)14-17/h3-5,13H,2,6-12,14,17H2,1H3
InChIKeyMFRPVFNEVAEVFX-UHFFFAOYSA-N
XLogP1.98
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
CID 79679962
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
(3-hept-3-ynoxyphenyl)methanamine
CID 68777046

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine (CID 167192586) is [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine is CCCOCCOCCOCCOc1cccc(CN)c1.
What is the InChIKey of [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The InChIKey is MFRPVFNEVAEVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-6-18-7-8-19-9-10-20-11-12-21-16-5-3-4-15(13-16)14-17/h3-5,13H,2,6-12,14,17H2,1H3.
What are the key properties of [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine has a molecular weight of 297.39 g/mol, XLogP of 1.98, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 167192586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).