1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine

C12H20N2 — CID 116948027

IUPAC1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCCc1ccc(C(NC)C(C)N)cc1
InChIInChI=1S/C12H20N2/c1-4-10-5-7-11(8-6-10)12(14-3)9(2)13/h5-9,12,14H,4,13H2,1-3H3
InChIKeyREYKNWXQNXBOTE-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.86
Rot. Bonds4

About 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine

1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948027) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID116948027
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCCc1ccc(C(NC)C(C)N)cc1
InChIInChI=1S/C12H20N2/c1-4-10-5-7-11(8-6-10)12(14-3)9(2)13/h5-9,12,14H,4,13H2,1-3H3
InChIKeyREYKNWXQNXBOTE-UHFFFAOYSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)butan-2-amine
CID 66439374
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 63467800
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948029
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
[1-(4-ethylphenyl)-2-methylbutyl]hydrazine
CID 105197447
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 82004948
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982925

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine (CID 116948027) is 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine is CCc1ccc(C(NC)C(C)N)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is REYKNWXQNXBOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-10-5-7-11(8-6-10)12(14-3)9(2)13/h5-9,12,14H,4,13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine?
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).