N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine

C16H28N2 — CID 55098067

IUPACN-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(C)C(C)C)c1cccc(C)c1
InChIInChI=1S/C16H28N2/c1-6-17-16(10-11-18(5)13(2)3)15-9-7-8-14(4)12-15/h7-9,12-13,16-17H,6,10-11H2,1-5H3
InChIKeyWGBZFWZTABXEMW-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.38
Rot. Bonds7

About N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine

N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 55098067) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID55098067
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(C)C(C)C)c1cccc(C)c1
InChIInChI=1S/C16H28N2/c1-6-17-16(10-11-18(5)13(2)3)15-9-7-8-14(4)12-15/h7-9,12-13,16-17H,6,10-11H2,1-5H3
InChIKeyWGBZFWZTABXEMW-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 81059330
1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63494741
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743687
1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
CID 106674066
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618250
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine (CID 55098067) is N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine is CCNC(CCN(C)C(C)C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is WGBZFWZTABXEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-17-16(10-11-18(5)13(2)3)15-9-7-8-14(4)12-15/h7-9,12-13,16-17H,6,10-11H2,1-5H3.
What are the key properties of N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 55098067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).