[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine

C14H23NO3 — CID 103566173

IUPAC[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
SMILESCCCCOCCOc1cc(CN)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-3-4-5-17-6-7-18-14-9-12(11-15)8-13(10-14)16-2/h8-10H,3-7,11,15H2,1-2H3
InChIKeyHMNUAEIXGFABAM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.35
Rot. Bonds9

About [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine

[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine (PubChem CID 103566173) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
PubChem CID103566173
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
SMILESCCCCOCCOc1cc(CN)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-3-4-5-17-6-7-18-14-9-12(11-15)8-13(10-14)16-2/h8-10H,3-7,11,15H2,1-2H3
InChIKeyHMNUAEIXGFABAM-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.35
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-bromo-5-(2-butoxyethoxy)phenyl]methanamine
CID 102814553
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
CID 103566172
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[3-bromo-4-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 54856586
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
1,3,5-tributoxybenzene
CID 15933337
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017

Frequently Asked Questions

What is the IUPAC name of [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine (CID 103566173) is [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine is CCCCOCCOc1cc(CN)cc(OC)c1.
What is the InChIKey of [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine?
The InChIKey is HMNUAEIXGFABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-5-17-6-7-18-14-9-12(11-15)8-13(10-14)16-2/h8-10H,3-7,11,15H2,1-2H3.
What are the key properties of [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine?
[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 103566173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).