2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine

C16H27NO — CID 62484519

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H27NO/c1-6-9-17-11-14(5)18-16-10-15(12(2)3)8-7-13(16)4/h7-8,10,12,14,17H,6,9,11H2,1-5H3
InChIKeyGUJZYPQOWKYWMG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.89
Rot. Bonds7

About 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine

2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine (PubChem CID 62484519) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
PubChem CID62484519
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H27NO/c1-6-9-17-11-14(5)18-16-10-15(12(2)3)8-7-13(16)4/h7-8,10,12,14,17H,6,9,11H2,1-5H3
InChIKeyGUJZYPQOWKYWMG-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.89
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

3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine
CID 63500724
2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 62453124
3-(2-methyl-5-propan-2-ylphenoxy)heptan-4-ol
CID 63465952
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine (CID 62484519) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine is CCCNCC(C)Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine?
The InChIKey is GUJZYPQOWKYWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-9-17-11-14(5)18-16-10-15(12(2)3)8-7-13(16)4/h7-8,10,12,14,17H,6,9,11H2,1-5H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine?
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 62484519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).