4-(4-tert-butylphenoxy)-N-methylbutan-1-amine

C15H25NO — CID 62454221

IUPAC4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
SMILESCNCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-15(2,3)13-7-9-14(10-8-13)17-12-6-5-11-16-4/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyQMUHKHNSWFAAQH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds6

About 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine

4-(4-tert-butylphenoxy)-N-methylbutan-1-amine (PubChem CID 62454221) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
PubChem CID62454221
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
SMILESCNCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-15(2,3)13-7-9-14(10-8-13)17-12-6-5-11-16-4/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyQMUHKHNSWFAAQH-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
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

N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
N'-[1-[4-[3-(4-tert-butylphenoxy)propoxy]phenyl]ethyl]-N-methylpropane-1,3-diamine
CID 21422430
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
1-[bis(4-tert-butylphenyl)-[4-(6-iodohexoxy)phenyl]methyl]-4-tert-butylbenzene
CID 132534710
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
N-methyl-3-phenoxypropan-1-amine
CID 22067856

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine (CID 62454221) is 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine is CNCCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine?
The InChIKey is QMUHKHNSWFAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,3)13-7-9-14(10-8-13)17-12-6-5-11-16-4/h7-10,16H,5-6,11-12H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine?
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 62454221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).