2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine

C20H27NO2 — CID 39454639

IUPAC2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,3)17-7-11-19(12-8-17)23-14-13-21-15-16-5-9-18(22-4)10-6-16/h5-12,21H,13-15H2,1-4H3
InChIKeyRKZZYUUNXWZWII-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.16
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine

2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 39454639) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID39454639
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,3)17-7-11-19(12-8-17)23-14-13-21-15-16-5-9-18(22-4)10-6-16/h5-12,21H,13-15H2,1-4H3
InChIKeyRKZZYUUNXWZWII-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.16
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

2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
CID 39425420
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
N-benzyl-2-(4-tert-butylphenoxy)ethanamine;oxalic acid
CID 2934321
2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 70806396
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 61171818
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 39454639) is 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCOc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is RKZZYUUNXWZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(2,3)17-7-11-19(12-8-17)23-14-13-21-15-16-5-9-18(22-4)10-6-16/h5-12,21H,13-15H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 39454639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).