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

C16H27NO2 — CID 117418125

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

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

3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine (PubChem CID 117418125) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
PubChem CID117418125
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
SMILESCOc1cc(C(C)CCN)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C16H27NO2/c1-11(7-8-17)13-9-12(18-5)10-14(15(13)19-6)16(2,3)4/h9-11H,7-8,17H2,1-6H3
InChIKeyQURXABLWZXHQQH-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

2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418124
3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine
CID 84810957
2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
CID 117351397
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
3-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 117444021
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
3-(3-tert-butyl-2-methoxy-5-methylphenyl)butanal
CID 117374437
(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
CID 139965190
2,6-ditert-butyl-4-methoxyphenol
CID 10269

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
The IUPAC name of 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine (CID 117418125) is 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine is COc1cc(C(C)CCN)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
The InChIKey is QURXABLWZXHQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(7-8-17)13-9-12(18-5)10-14(15(13)19-6)16(2,3)4/h9-11H,7-8,17H2,1-6H3.
What are the key properties of 3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine?
3-(3-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-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 117418125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).