1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine

C20H27N — CID 105120553

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccccc1C)c1cc(C)ccc1C
InChIInChI=1S/C20H27N/c1-5-21-20(19-14-15(2)10-11-17(19)4)13-12-18-9-7-6-8-16(18)3/h6-11,14,20-21H,5,12-13H2,1-4H3
InChIKeyTXWIKSJZBKFEBR-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.90
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine

1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 105120553) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
PubChem CID105120553
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccccc1C)c1cc(C)ccc1C
InChIInChI=1S/C20H27N/c1-5-21-20(19-14-15(2)10-11-17(19)4)13-12-18-9-7-6-8-16(18)3/h6-11,14,20-21H,5,12-13H2,1-4H3
InChIKeyTXWIKSJZBKFEBR-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
N-ethyl-1-(3-ethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105171234
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine (CID 105120553) is 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine is CCNC(CCc1ccccc1C)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is TXWIKSJZBKFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-21-20(19-14-15(2)10-11-17(19)4)13-12-18-9-7-6-8-16(18)3/h6-11,14,20-21H,5,12-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine?
1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.90, 6 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-ethyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105120553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).