1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine

C13H21NO — CID 83883412

IUPAC1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(COC(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)15-9-13-6-4-5-12(8-13)7-11(3)14/h4-6,8,10-11H,7,9,14H2,1-3H3
InChIKeyRIKMADHMGASEIA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds5

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

1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine (PubChem CID 83883412) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
PubChem CID83883412
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(COC(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)15-9-13-6-4-5-12(8-13)7-11(3)14/h4-6,8,10-11H,7,9,14H2,1-3H3
InChIKeyRIKMADHMGASEIA-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
azane;1-phenylpropan-2-amine
CID 67350534
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-(2,3-dimethyl-4-phenylmethoxybutyl)-3-(3-methylbutan-2-yloxymethyl)benzene
CID 155451219
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine (CID 83883412) is 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine is CC(N)Cc1cccc(COC(C)C)c1.
What is the InChIKey of 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine?
The InChIKey is RIKMADHMGASEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)15-9-13-6-4-5-12(8-13)7-11(3)14/h4-6,8,10-11H,7,9,14H2,1-3H3.
What are the key properties of 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine?
1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 83883412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).