N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine

C15H25NO2 — CID 133148533

IUPACN-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1cccc(OC)c1OC
InChIInChI=1S/C15H25NO2/c1-6-13(16-10-11(2)3)12-8-7-9-14(17-4)15(12)18-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyIRPXRGXHLTVDHT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.40
Rot. Bonds7

About N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine

N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine (PubChem CID 133148533) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
PubChem CID133148533
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1cccc(OC)c1OC
InChIInChI=1S/C15H25NO2/c1-6-13(16-10-11(2)3)12-8-7-9-14(17-4)15(12)18-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyIRPXRGXHLTVDHT-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887599
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
2-[1-(2-methoxyphenyl)propylamino]-N-(2-methylpropyl)acetamide
CID 115900223
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105163057
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450533

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine (CID 133148533) is N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine is CCC(NCC(C)C)c1cccc(OC)c1OC.
What is the InChIKey of N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is IRPXRGXHLTVDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13(16-10-11(2)3)12-8-7-9-14(17-4)15(12)18-5/h7-9,11,13,16H,6,10H2,1-5H3.
What are the key properties of N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 133148533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).