3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine

C16H27NO2 — CID 117418124

IUPAC3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
SMILESCOc1cc(C(C)(C)C)c(OC)cc1C(C)CCN
InChIInChI=1S/C16H27NO2/c1-11(7-8-17)12-9-15(19-6)13(16(2,3)4)10-14(12)18-5/h9-11H,7-8,17H2,1-6H3
InChIKeyQADXICCQVVTWKZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.45
Rot. Bonds5

About 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine

3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine (PubChem CID 117418124) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
PubChem CID117418124
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
SMILESCOc1cc(C(C)(C)C)c(OC)cc1C(C)CCN
InChIInChI=1S/C16H27NO2/c1-11(7-8-17)12-9-15(19-6)13(16(2,3)4)10-14(12)18-5/h9-11H,7-8,17H2,1-6H3
InChIKeyQADXICCQVVTWKZ-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
3-(5-methoxy-1,3-benzoxathiol-6-yl)butan-1-amine
CID 117351535
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
The IUPAC name of 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine (CID 117418124) is 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine is COc1cc(C(C)(C)C)c(OC)cc1C(C)CCN.
What is the InChIKey of 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
The InChIKey is QADXICCQVVTWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(7-8-17)12-9-15(19-6)13(16(2,3)4)10-14(12)18-5/h9-11H,7-8,17H2,1-6H3.
What are the key properties of 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 117418124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).