[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine

C19H25NO2 — CID 20991684

IUPAC[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
SMILESCC(C)(C)c1ccccc1OCCOc1ccccc1CN
InChIInChI=1S/C19H25NO2/c1-19(2,3)16-9-5-7-11-18(16)22-13-12-21-17-10-6-4-8-15(17)14-20/h4-11H,12-14,20H2,1-3H3
InChIKeyDDLDXTHBUWUKSO-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.90
Rot. Bonds6

About [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine

[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 20991684) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
PubChem CID20991684
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
SMILESCC(C)(C)c1ccccc1OCCOc1ccccc1CN
InChIInChI=1S/C19H25NO2/c1-19(2,3)16-9-5-7-11-18(16)22-13-12-21-17-10-6-4-8-15(17)14-20/h4-11H,12-14,20H2,1-3H3
InChIKeyDDLDXTHBUWUKSO-UHFFFAOYSA-N
XLogP3.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.90
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-(aminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361112
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
4-(2-tert-butylphenoxy)-2-methylbutan-1-amine
CID 112508268
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-tert-butyl-2-heptoxybenzene
CID 64763672
3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629
1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene
CID 63458032
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
2-(2-tert-butylphenoxy)acetamide
CID 17051379
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine (CID 20991684) is [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine is CC(C)(C)c1ccccc1OCCOc1ccccc1CN.
What is the InChIKey of [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is DDLDXTHBUWUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2,3)16-9-5-7-11-18(16)22-13-12-21-17-10-6-4-8-15(17)14-20/h4-11H,12-14,20H2,1-3H3.
What are the key properties of [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine?
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 299.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20991684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).