N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine

C15H25NO — CID 29016141

IUPACN-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
SMILESCCCNCCCOc1cc(C)cc(C)c1C
InChIInChI=1S/C15H25NO/c1-5-7-16-8-6-9-17-15-11-12(2)10-13(3)14(15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyOTKMJSLLVLQCCQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds7

About N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine

N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine (PubChem CID 29016141) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
PubChem CID29016141
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
SMILESCCCNCCCOc1cc(C)cc(C)c1C
InChIInChI=1S/C15H25NO/c1-5-7-16-8-6-9-17-15-11-12(2)10-13(3)14(15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyOTKMJSLLVLQCCQ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
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

2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342
2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 79626726
N-[2-(2,3,5-trimethylphenoxy)ethyl]pentan-2-amine
CID 62598036
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
N-tert-butyl-5-(2,3,5-trimethylphenoxy)pentan-1-amine
CID 63497364
6-(2,3,5-trimethylphenoxy)hexane-1-thiol
CID 2304768
N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273818
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
3-(2-tert-butyl-4-methylphenoxy)-N-propylpropan-1-amine
CID 29016016
4-bromo-N-[2-(2,3,5-trimethylphenoxy)ethyl]aniline
CID 63516850
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
The IUPAC name of N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine (CID 29016141) is N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine.
What is the SMILES notation for N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
The canonical SMILES for N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine is CCCNCCCOc1cc(C)cc(C)c1C.
What is the InChIKey of N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
The InChIKey is OTKMJSLLVLQCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-16-8-6-9-17-15-11-12(2)10-13(3)14(15)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine is sourced from PubChem (CID 29016141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).