1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

C14H23NO2 — CID 105133732

IUPAC1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCOc1cccc(CC(N)COC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-10-12(15)8-11-6-5-7-13(9-11)16-4/h5-7,9,12H,8,10,15H2,1-4H3
InChIKeyHQJIZCPLIXZTIM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (PubChem CID 105133732) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
PubChem CID105133732
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCOc1cccc(CC(N)COC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-10-12(15)8-11-6-5-7-13(9-11)16-4/h5-7,9,12H,8,10,15H2,1-4H3
InChIKeyHQJIZCPLIXZTIM-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 116726216
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (CID 105133732) is 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is COc1cccc(CC(N)COC(C)(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The InChIKey is HQJIZCPLIXZTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)17-10-12(15)8-11-6-5-7-13(9-11)16-4/h5-7,9,12H,8,10,15H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is sourced from PubChem (CID 105133732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).