2-(2,5-diethylphenyl)ethanamine

C12H19N — CID 117277667

IUPAC2-(2,5-diethylphenyl)ethanamine
SMILESCCc1ccc(CC)c(CCN)c1
InChIInChI=1S/C12H19N/c1-3-10-5-6-11(4-2)12(9-10)7-8-13/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyLOTSOXXSWPEBSM-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.31
Rot. Bonds4

About 2-(2,5-diethylphenyl)ethanamine

2-(2,5-diethylphenyl)ethanamine (PubChem CID 117277667) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(2,5-diethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-diethylphenyl)ethanamine
PubChem CID117277667
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(2,5-diethylphenyl)ethanamine
SMILESCCc1ccc(CC)c(CCN)c1
InChIInChI=1S/C12H19N/c1-3-10-5-6-11(4-2)12(9-10)7-8-13/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyLOTSOXXSWPEBSM-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
2-(2-aminoethyl)-5-ethylbenzoic acid
CID 83853045
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
2-[5-[[3-(2-aminoethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]ethanamine
CID 164763760
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895
1,4-diethyl-2-hex-3-ynylbenzene
CID 83920971
2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
CID 21469698
6-(2,5-diethylphenyl)-2-methylhexan-3-amine
CID 83920903
1,2-diethyl-4-propylbenzene
CID 54363919
2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine
CID 164763757
(2,4-diethylphenyl)methanol
CID 21414896

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylphenyl)ethanamine?
The IUPAC name of 2-(2,5-diethylphenyl)ethanamine (CID 117277667) is 2-(2,5-diethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-diethylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-diethylphenyl)ethanamine is CCc1ccc(CC)c(CCN)c1.
What is the InChIKey of 2-(2,5-diethylphenyl)ethanamine?
The InChIKey is LOTSOXXSWPEBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-10-5-6-11(4-2)12(9-10)7-8-13/h5-6,9H,3-4,7-8,13H2,1-2H3.
What are the key properties of 2-(2,5-diethylphenyl)ethanamine?
2-(2,5-diethylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethylphenyl)ethanamine is sourced from PubChem (CID 117277667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).