4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine

C17H29NO2 — CID 62572894

IUPAC4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-7-9-16(10-8-15)20-13-6-5-11-18-12-14-19-4/h7-10,18H,5-6,11-14H2,1-4H3
InChIKeyOUJARBNCBGMEEO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.38
Rot. Bonds9

About 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine

4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62572894) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
PubChem CID62572894
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-7-9-16(10-8-15)20-13-6-5-11-18-12-14-19-4/h7-10,18H,5-6,11-14H2,1-4H3
InChIKeyOUJARBNCBGMEEO-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.38
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-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
4-(4-tert-butyl-2-methylphenoxy)-N-(2-methoxyethyl)butan-1-amine;oxalic acid
CID 2923242
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]heptan-1-amine
CID 54797456
3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
CID 5262127
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine (CID 62572894) is 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is OUJARBNCBGMEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-17(2,3)15-7-9-16(10-8-15)20-13-6-5-11-18-12-14-19-4/h7-10,18H,5-6,11-14H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62572894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).