[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine

C18H23NO2 — CID 20989440

IUPAC[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
SMILESCC(C)c1ccccc1OCCOc1ccc(CN)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)17-5-3-4-6-18(17)21-12-11-20-16-9-7-15(13-19)8-10-16/h3-10,14H,11-13,19H2,1-2H3
InChIKeyOADCIZUWZFEDOA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine

[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 20989440) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
PubChem CID20989440
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
SMILESCC(C)c1ccccc1OCCOc1ccc(CN)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)17-5-3-4-6-18(17)21-12-11-20-16-9-7-15(13-19)8-10-16/h3-10,14H,11-13,19H2,1-2H3
InChIKeyOADCIZUWZFEDOA-UHFFFAOYSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
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

3-[2-(2-propan-2-ylphenoxy)ethoxy]benzonitrile
CID 22681824
[6-(2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 16781989
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
3-[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20988505
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
[3-bromo-4-[(2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 102773232
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
[4-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]methanamine
CID 61291497

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine (CID 20989440) is [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine is CC(C)c1ccccc1OCCOc1ccc(CN)cc1.
What is the InChIKey of [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is OADCIZUWZFEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)17-5-3-4-6-18(17)21-12-11-20-16-9-7-15(13-19)8-10-16/h3-10,14H,11-13,19H2,1-2H3.
What are the key properties of [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20989440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).