2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

C14H24N2 — CID 116945487

IUPAC2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H24N2/c1-5-12(8-15)14(16)13-7-10(3)9(2)6-11(13)4/h6-7,12,14H,5,8,15-16H2,1-4H3
InChIKeyPJNCYDXILGKARA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.60
Rot. Bonds4

About 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (PubChem CID 116945487) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
PubChem CID116945487
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H24N2/c1-5-12(8-15)14(16)13-7-10(3)9(2)6-11(13)4/h6-7,12,14H,5,8,15-16H2,1-4H3
InChIKeyPJNCYDXILGKARA-UHFFFAOYSA-N
XLogP2.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
CID 116945330
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116945494
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
CID 114246454
3-ethyl-1-(2,4,5-trimethylphenyl)pentane-1,2-diol
CID 103459784
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (CID 116945487) is 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine is CCC(CN)C(N)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The InChIKey is PJNCYDXILGKARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12(8-15)14(16)13-7-10(3)9(2)6-11(13)4/h6-7,12,14H,5,8,15-16H2,1-4H3.
What are the key properties of 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116945487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).