1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine

C17H29NO — CID 116716499

IUPAC1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-15(19-8-2)16(18-6)13-9-11-14(12-10-13)17(3,4)5/h9-12,15-16,18H,7-8H2,1-6H3
InChIKeyJPXWKTLUSBFIGT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine

1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine (PubChem CID 116716499) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
PubChem CID116716499
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-15(19-8-2)16(18-6)13-9-11-14(12-10-13)17(3,4)5/h9-12,15-16,18H,7-8H2,1-6H3
InChIKeyJPXWKTLUSBFIGT-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718735
1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716616
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948029
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
[1-(4-chlorophenyl)-2-ethoxybutyl]hydrazine
CID 105271035
1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
CID 116711399
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine (CID 116716499) is 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine is CCOC(CC)C(NC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine?
The InChIKey is JPXWKTLUSBFIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-15(19-8-2)16(18-6)13-9-11-14(12-10-13)17(3,4)5/h9-12,15-16,18H,7-8H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine?
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine is sourced from PubChem (CID 116716499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).