2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine

C17H29NO — CID 61171818

IUPAC2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
SMILESCCCCOCCNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-6-12-19-13-11-18-14-15-7-9-16(10-8-15)17(2,3)4/h7-10,18H,5-6,11-14H2,1-4H3
InChIKeyXHCOEXBKUHALDL-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.89
Rot. Bonds8

About 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine

2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine (PubChem CID 61171818) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
PubChem CID61171818
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
SMILESCCCCOCCNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-6-12-19-13-11-18-14-15-7-9-16(10-8-15)17(2,3)4/h7-10,18H,5-6,11-14H2,1-4H3
InChIKeyXHCOEXBKUHALDL-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
3-butoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115575536
4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031227
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
CID 39425420
2-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61170676
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine (CID 61171818) is 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine is CCCCOCCNCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine?
The InChIKey is XHCOEXBKUHALDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-12-19-13-11-18-14-15-7-9-16(10-8-15)17(2,3)4/h7-10,18H,5-6,11-14H2,1-4H3.
What are the key properties of 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine?
2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine has a molecular weight of 263.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine is sourced from PubChem (CID 61171818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).