4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine

C16H27NO — CID 83935499

IUPAC4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
SMILESCCOc1ccc(C(C)(C)C)cc1CCCCN
InChIInChI=1S/C16H27NO/c1-5-18-15-10-9-14(16(2,3)4)12-13(15)8-6-7-11-17/h9-10,12H,5-8,11,17H2,1-4H3
InChIKeyGFJMFQFXFVHYKQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.66
Rot. Bonds6

About 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine

4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine (PubChem CID 83935499) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
PubChem CID83935499
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
SMILESCCOc1ccc(C(C)(C)C)cc1CCCCN
InChIInChI=1S/C16H27NO/c1-5-18-15-10-9-14(16(2,3)4)12-13(15)8-6-7-11-17/h9-10,12H,5-8,11,17H2,1-4H3
InChIKeyGFJMFQFXFVHYKQ-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.66
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

4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
4-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-1-amine
CID 117471026
4-[5-tert-butyl-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4298513
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine?
The IUPAC name of 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine (CID 83935499) is 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine is CCOc1ccc(C(C)(C)C)cc1CCCCN.
What is the InChIKey of 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine?
The InChIKey is GFJMFQFXFVHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-18-15-10-9-14(16(2,3)4)12-13(15)8-6-7-11-17/h9-10,12H,5-8,11,17H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine?
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine is sourced from PubChem (CID 83935499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).