[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine

C14H23NO2 — CID 43254164

IUPAC[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
SMILESCC(C)CCOCCOc1ccc(CN)cc1
InChIInChI=1S/C14H23NO2/c1-12(2)7-8-16-9-10-17-14-5-3-13(11-15)4-6-14/h3-6,12H,7-11,15H2,1-2H3
InChIKeyRAHALZWTFRXXIX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.59
Rot. Bonds8

About [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine

[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine (PubChem CID 43254164) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
PubChem CID43254164
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
SMILESCC(C)CCOCCOc1ccc(CN)cc1
InChIInChI=1S/C14H23NO2/c1-12(2)7-8-16-9-10-17-14-5-3-13(11-15)4-6-14/h3-6,12H,7-11,15H2,1-2H3
InChIKeyRAHALZWTFRXXIX-UHFFFAOYSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.59
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

[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 107655968
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 62460192
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
CID 78934322

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine (CID 43254164) is [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine is CC(C)CCOCCOc1ccc(CN)cc1.
What is the InChIKey of [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
The InChIKey is RAHALZWTFRXXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)7-8-16-9-10-17-14-5-3-13(11-15)4-6-14/h3-6,12H,7-11,15H2,1-2H3.
What are the key properties of [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine?
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine has a molecular weight of 237.34 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).