1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine

C14H25N3 — CID 106703560

IUPAC1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccccc1NC
InChIInChI=1S/C14H25N3/c1-5-17(4)11-12(2)16-10-13-8-6-7-9-14(13)15-3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyFBVRRQUGBUJKBN-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.16
Rot. Bonds7

About 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine (PubChem CID 106703560) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
PubChem CID106703560
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccccc1NC
InChIInChI=1S/C14H25N3/c1-5-17(4)11-12(2)16-10-13-8-6-7-9-14(13)15-3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyFBVRRQUGBUJKBN-UHFFFAOYSA-N
XLogP2.16
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-aminophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106703561
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 103109677
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
CID 103110034
1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703507
N-methyl-2-(methylaminomethyl)aniline
CID 576504
1-N,1-N-diethyl-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 113408523
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106892891
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-N-[(5-bromothiophen-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109681
1-N-ethyl-1-N-methyl-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 103109593

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine (CID 106703560) is 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine is CCN(C)CC(C)NCc1ccccc1NC.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The InChIKey is FBVRRQUGBUJKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-17(4)11-12(2)16-10-13-8-6-7-9-14(13)15-3/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 106703560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).