1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine

C13H19NO — CID 105005245

IUPAC1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cc(C)ccc1OC
InChIInChI=1S/C13H19NO/c1-9(2)13(14-4)11-8-10(3)6-7-12(11)15-5/h6-8,13-14H,1H2,2-5H3
InChIKeyUSQLOGFCHIAYNV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine

1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105005245) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105005245
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cc(C)ccc1OC
InChIInChI=1S/C13H19NO/c1-9(2)13(14-4)11-8-10(3)6-7-12(11)15-5/h6-8,13-14H,1H2,2-5H3
InChIKeyUSQLOGFCHIAYNV-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005229
1-(2,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005127
1-(2-methoxy-5-methylphenyl)-2-methyl-1-(methylamino)propan-2-ol
CID 116957172
1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909202
1-hydrazinyl-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 116961705
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43626284
2-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960658
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine (CID 105005245) is 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is USQLOGFCHIAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)13(14-4)11-8-10(3)6-7-12(11)15-5/h6-8,13-14H,1H2,2-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105005245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).