2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine

C16H28N2 — CID 115254758

IUPAC2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
SMILESCCC(CNC)CNc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-14(11-17-4)12-18-16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17-18H,5,10-12H2,1-4H3
InChIKeyUWJQLBLHRMMWKD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.54
Rot. Bonds8

About 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine

2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine (PubChem CID 115254758) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
PubChem CID115254758
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
SMILESCCC(CNC)CNc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-14(11-17-4)12-18-16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17-18H,5,10-12H2,1-4H3
InChIKeyUWJQLBLHRMMWKD-UHFFFAOYSA-N
XLogP3.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 115254806
2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 115254807
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309
4-(2-chloroethyl)-N-(2-ethylbutyl)aniline
CID 82923891
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 59849275
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
2-ethyl-N-(3-fluoro-4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 115254755
4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852912
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine (CID 115254758) is 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine is CCC(CNC)CNc1ccc(CC(C)C)cc1.
What is the InChIKey of 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine?
The InChIKey is UWJQLBLHRMMWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-14(11-17-4)12-18-16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17-18H,5,10-12H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine?
2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 115254758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).