3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine

C17H29NO2 — CID 103228196

IUPAC3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO2/c1-12(2)17-8-7-15(9-14(17)5)20-16(11-19-6)10-18-13(3)4/h7-9,12-13,16,18H,10-11H2,1-6H3
InChIKeySNWAJSVYRVWVBO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.51
Rot. Bonds8

About 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine

3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 103228196) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID103228196
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO2/c1-12(2)17-8-7-15(9-14(17)5)20-16(11-19-6)10-18-13(3)4/h7-9,12-13,16,18H,10-11H2,1-6H3
InChIKeySNWAJSVYRVWVBO-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228708
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228503
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228050
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
CID 63505904
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine (CID 103228196) is 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)Oc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is SNWAJSVYRVWVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)17-8-7-15(9-14(17)5)20-16(11-19-6)10-18-13(3)4/h7-9,12-13,16,18H,10-11H2,1-6H3.
What are the key properties of 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine?
3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103228196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).