1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine

C19H25NO — CID 105120506

IUPAC1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
SMILESCNC(CCOc1cccc(C)c1)c1cc(C)ccc1C
InChIInChI=1S/C19H25NO/c1-14-6-5-7-17(12-14)21-11-10-19(20-4)18-13-15(2)8-9-16(18)3/h5-9,12-13,19-20H,10-11H2,1-4H3
InChIKeyMRYQOVGKGKZFKH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.34
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine

1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine (PubChem CID 105120506) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
PubChem CID105120506
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
SMILESCNC(CCOc1cccc(C)c1)c1cc(C)ccc1C
InChIInChI=1S/C19H25NO/c1-14-6-5-7-17(12-14)21-11-10-19(20-4)18-13-15(2)8-9-16(18)3/h5-9,12-13,19-20H,10-11H2,1-4H3
InChIKeyMRYQOVGKGKZFKH-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105119056
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104689
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine
CID 105163437

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine (CID 105120506) is 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine is CNC(CCOc1cccc(C)c1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is MRYQOVGKGKZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-6-5-7-17(12-14)21-11-10-19(20-4)18-13-15(2)8-9-16(18)3/h5-9,12-13,19-20H,10-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine?
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 105120506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).