1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine

C15H26N2 — CID 55018276

IUPAC1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C(C)C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C15H26N2/c1-6-17(11(2)3)15(13(5)16)14-10-8-7-9-12(14)4/h7-11,13,15H,6,16H2,1-5H3
InChIKeyGHUSFBAMYGHLCX-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.11
Rot. Bonds5

About 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine

1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 55018276) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID55018276
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C(C)C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C15H26N2/c1-6-17(11(2)3)15(13(5)16)14-10-8-7-9-12(14)4/h7-11,13,15H,6,16H2,1-5H3
InChIKeyGHUSFBAMYGHLCX-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018331
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112657415
1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 55018087
3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine
CID 63404265
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
1-N-methyl-1-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)butane-1,2-diamine
CID 55018231
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine (CID 55018276) is 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine is CCN(C(C)C)C(c1ccccc1C)C(C)N.
What is the InChIKey of 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is GHUSFBAMYGHLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(11(2)3)15(13(5)16)14-10-8-7-9-12(14)4/h7-11,13,15H,6,16H2,1-5H3.
What are the key properties of 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine?
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55018276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).