N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine

C15H25NO2 — CID 133148384

IUPACN-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-14(16-10-11(2)3)13-9-12(17-4)7-8-15(13)18-5/h7-9,11,14,16H,6,10H2,1-5H3
InChIKeyOKJYAKKKQLIXQQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.40
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine

N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine (PubChem CID 133148384) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
PubChem CID133148384
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-14(16-10-11(2)3)13-9-12(17-4)7-8-15(13)18-5/h7-9,11,14,16H,6,10H2,1-5H3
InChIKeyOKJYAKKKQLIXQQ-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

1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 113303693
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81016741
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
CID 61084489
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine (CID 133148384) is N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine is CCC(NCC(C)C)c1cc(OC)ccc1OC.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is OKJYAKKKQLIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-14(16-10-11(2)3)13-9-12(17-4)7-8-15(13)18-5/h7-9,11,14,16H,6,10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine?
N-[1-(2,5-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-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 133148384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).