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

C17H21NO3 — CID 43254185

IUPAC[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCOCCOc2ccccc2)c1
InChIInChI=1S/C17H21NO3/c18-14-15-5-4-8-17(13-15)21-12-10-19-9-11-20-16-6-2-1-3-7-16/h1-8,13H,9-12,14,18H2
InChIKeyYPKWQAKRMUTYFC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds9

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

[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine (PubChem CID 43254185) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
PubChem CID43254185
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCOCCOc2ccccc2)c1
InChIInChI=1S/C17H21NO3/c18-14-15-5-4-8-17(13-15)21-12-10-19-9-11-20-16-6-2-1-3-7-16/h1-8,13H,9-12,14,18H2
InChIKeyYPKWQAKRMUTYFC-UHFFFAOYSA-N
XLogP2.62
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
3-[2-[2-[2-[2-[2-[3-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;hydrochloride
CID 164593214
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
CID 79679962
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
5-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]pentanoic acid
CID 164592889
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine (CID 43254185) is [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine is NCc1cccc(OCCOCCOc2ccccc2)c1.
What is the InChIKey of [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine?
The InChIKey is YPKWQAKRMUTYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c18-14-15-5-4-8-17(13-15)21-12-10-19-9-11-20-16-6-2-1-3-7-16/h1-8,13H,9-12,14,18H2.
What are the key properties of [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine?
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).