1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine

C13H21NO2 — CID 43481972

IUPAC1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(OC)ccc1OC)C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)13(14-3)11-8-10(15-4)6-7-12(11)16-5/h6-9,13-14H,1-5H3
InChIKeyWUSRACBZDYXHNU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.62
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine

1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine (PubChem CID 43481972) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
PubChem CID43481972
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(OC)ccc1OC)C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)13(14-3)11-8-10(15-4)6-7-12(11)16-5/h6-9,13-14H,1-5H3
InChIKeyWUSRACBZDYXHNU-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
CID 79616097
[1-(2,5-dimethoxyphenyl)-2-methylpropyl]hydrazine
CID 105199640
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine (CID 43481972) is 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine is CNC(c1cc(OC)ccc1OC)C(C)C.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is WUSRACBZDYXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)13(14-3)11-8-10(15-4)6-7-12(11)16-5/h6-9,13-14H,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine?
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 43481972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).