1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine

C13H21NO — CID 116715174

IUPAC1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-5-12(15-4)13(14)11-8-9(2)6-7-10(11)3/h6-8,12-13H,5,14H2,1-4H3
InChIKeyNZJWXXTVEYAALJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.73
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine

1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine (PubChem CID 116715174) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
PubChem CID116715174
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-5-12(15-4)13(14)11-8-9(2)6-7-10(11)3/h6-8,12-13H,5,14H2,1-4H3
InChIKeyNZJWXXTVEYAALJ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(2,5-dimethylphenyl)-2-methoxyethanamine
CID 116721972
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
1-(5-bromo-2-fluorophenyl)-2-methoxybutan-1-amine
CID 116715091
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725300
1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82360034
1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol
CID 116711234
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2-fluoro-4-methoxyphenyl)-2-methoxybutan-1-amine
CID 103395841
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
methyl 2-[(2,5-dimethylphenyl)-hydroxymethyl]butanoate
CID 62395439

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine (CID 116715174) is 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine is CCC(OC)C(N)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine?
The InChIKey is NZJWXXTVEYAALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-12(15-4)13(14)11-8-9(2)6-7-10(11)3/h6-8,12-13H,5,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine?
1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116715174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).