[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine

C16H27NO4 — CID 103401471

IUPAC[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
SMILESCOCCOCCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C16H27NO4/c1-18-11-12-20-8-3-7-19-9-4-10-21-16-6-2-5-15(13-16)14-17/h2,5-6,13H,3-4,7-12,14,17H2,1H3
InChIKeyZFKXHMDGIMDSFR-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.98
Rot. Bonds13

About [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine

[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine (PubChem CID 103401471) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
PubChem CID103401471
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
SMILESCOCCOCCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C16H27NO4/c1-18-11-12-20-8-3-7-19-9-4-10-21-16-6-2-5-15(13-16)14-17/h2,5-6,13H,3-4,7-12,14,17H2,1H3
InChIKeyZFKXHMDGIMDSFR-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
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate
CID 168970083
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
methyl 3-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 164593161
5-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]pentanoic acid
CID 164592889
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891

Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine (CID 103401471) is [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine is COCCOCCCOCCCOc1cccc(CN)c1.
What is the InChIKey of [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine?
The InChIKey is ZFKXHMDGIMDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-18-11-12-20-8-3-7-19-9-4-10-21-16-6-2-5-15(13-16)14-17/h2,5-6,13H,3-4,7-12,14,17H2,1H3.
What are the key properties of [3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine?
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]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-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine is sourced from PubChem (CID 103401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).