2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine

C15H25NO2 — CID 62452119

IUPAC2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1ccc(C)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-13(10-16-11(2)3)18-14-8-7-12(4)9-15(14)17-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyRTDGZVPZSOOJTC-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds7

About 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine

2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62452119) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62452119
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1ccc(C)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-13(10-16-11(2)3)18-14-8-7-12(4)9-15(14)17-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyRTDGZVPZSOOJTC-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450533
2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 63492520
2-(2-methoxy-4-methylphenoxy)-N-propylpentan-1-amine
CID 83046472
1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
CID 144508137
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63496259
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine (CID 62452119) is 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1ccc(C)cc1OC.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is RTDGZVPZSOOJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13(10-16-11(2)3)18-14-8-7-12(4)9-15(14)17-5/h7-9,11,13,16H,6,10H2,1-5H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine?
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62452119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).