1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine

C13H21N — CID 43490783

IUPAC1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(C)ccc1C
InChIInChI=1S/C13H21N/c1-5-13(14-6-2)12-9-10(3)7-8-11(12)4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyFRLTZYSLLVOBLI-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine

1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine (PubChem CID 43490783) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
PubChem CID43490783
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(C)ccc1C
InChIInChI=1S/C13H21N/c1-5-13(14-6-2)12-9-10(3)7-8-11(12)4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyFRLTZYSLLVOBLI-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64647483
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine (CID 43490783) is 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine is CCNC(CC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
The InChIKey is FRLTZYSLLVOBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13(14-6-2)12-9-10(3)7-8-11(12)4/h7-9,13-14H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 43490783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).