2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine

C12H19NO2 — CID 62353604

IUPAC2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-12(2,9-13-3)15-11-7-5-6-10(8-11)14-4/h5-8,13H,9H2,1-4H3
InChIKeyUESTWDXKLRWITO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.07
Rot. Bonds5

About 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine

2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 62353604) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine
PubChem CID62353604
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-12(2,9-13-3)15-11-7-5-6-10(8-11)14-4/h5-8,13H,9H2,1-4H3
InChIKeyUESTWDXKLRWITO-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-2-(3-propan-2-ylphenoxy)propan-1-amine
CID 62352635
2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 62354804
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine (CID 62353604) is 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)(C)Oc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is UESTWDXKLRWITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,9-13-3)15-11-7-5-6-10(8-11)14-4/h5-8,13H,9H2,1-4H3.
What are the key properties of 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine?
2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62353604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).