1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine

C14H24N2 — CID 115196905

IUPAC1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCc1ccc(CCN(C)CC(C)N)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-5-6-14(12(2)9-11)7-8-16(4)10-13(3)15/h5-6,9,13H,7-8,10,15H2,1-4H3
InChIKeyUZBOBLSWWWZAIX-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.12
Rot. Bonds5

About 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine

1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine (PubChem CID 115196905) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
PubChem CID115196905
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCc1ccc(CCN(C)CC(C)N)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-5-6-14(12(2)9-11)7-8-16(4)10-13(3)15/h5-6,9,13H,7-8,10,15H2,1-4H3
InChIKeyUZBOBLSWWWZAIX-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
CID 115123138
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
3-amino-4-[2-(2,5-dimethylphenyl)ethyl-methylamino]butanoic acid
CID 115241861
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989
3-N-[2-(2,4-dimethylphenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041004
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
4-[2-(2,5-dimethylphenyl)ethyl-methylamino]-3-methylbutanoic acid
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(2R)-1-[(2,4-dimethylphenyl)methoxy]propan-2-amine
CID 96656753

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine (CID 115196905) is 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine is Cc1ccc(CCN(C)CC(C)N)c(C)c1.
What is the InChIKey of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is UZBOBLSWWWZAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-5-6-14(12(2)9-11)7-8-16(4)10-13(3)15/h5-6,9,13H,7-8,10,15H2,1-4H3.
What are the key properties of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine?
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 115196905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).