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

C15H25NO — CID 93185561

IUPAC4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1CCCCN
InChIInChI=1S/C15H25NO/c1-15(2,3)13-8-9-14(17-4)12(11-13)7-5-6-10-16/h8-9,11H,5-7,10,16H2,1-4H3
InChIKeyOTBJOBWZSORLFH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.27
Rot. Bonds5

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

4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine (PubChem CID 93185561) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
PubChem CID93185561
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(C)(C)C)cc1CCCCN
InChIInChI=1S/C15H25NO/c1-15(2,3)13-8-9-14(17-4)12(11-13)7-5-6-10-16/h8-9,11H,5-7,10,16H2,1-4H3
InChIKeyOTBJOBWZSORLFH-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.27
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-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-1-amine
CID 117471026
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835
N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
CID 115200968
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
CID 155398742
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine?
The IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine (CID 93185561) is 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine is COc1ccc(C(C)(C)C)cc1CCCCN.
What is the InChIKey of 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine?
The InChIKey is OTBJOBWZSORLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,3)13-8-9-14(17-4)12(11-13)7-5-6-10-16/h8-9,11H,5-7,10,16H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine?
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.27, 5 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-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 93185561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).