1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine

C13H21NO — CID 117111249

IUPAC1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
SMILESCOC(C)(C)c1cccc(CC(C)N)c1
InChIInChI=1S/C13H21NO/c1-10(14)8-11-6-5-7-12(9-11)13(2,3)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyYDFOSEPCAHFYPC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.46
Rot. Bonds4

About 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine

1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine (PubChem CID 117111249) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
PubChem CID117111249
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
SMILESCOC(C)(C)c1cccc(CC(C)N)c1
InChIInChI=1S/C13H21NO/c1-10(14)8-11-6-5-7-12(9-11)13(2,3)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKeyYDFOSEPCAHFYPC-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114916
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-[3-(2-methoxypropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107885
3-[3-(2-methoxypropan-2-yl)phenyl]butan-1-amine
CID 115113501
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
CID 117109137
1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene
CID 118262868
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine (CID 117111249) is 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine is COC(C)(C)c1cccc(CC(C)N)c1.
What is the InChIKey of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine?
The InChIKey is YDFOSEPCAHFYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(14)8-11-6-5-7-12(9-11)13(2,3)15-4/h5-7,9-10H,8,14H2,1-4H3.
What are the key properties of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine?
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117111249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).