1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine

C13H22N2 — CID 20979710

IUPAC1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
SMILESCNC(C)CN(C)CCc1ccccc1
InChIInChI=1S/C13H22N2/c1-12(14-2)11-15(3)10-9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKeyGBEGNPMPBBARSU-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.77
Rot. Bonds6

About 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine

1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine (PubChem CID 20979710) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
PubChem CID20979710
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
SMILESCNC(C)CN(C)CCc1ccccc1
InChIInChI=1S/C13H22N2/c1-12(14-2)11-15(3)10-9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKeyGBEGNPMPBBARSU-UHFFFAOYSA-N
XLogP1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
1-methyl-1-(2-phenylethyl)-2-[(2R)-1-phenylpropan-2-yl]hydrazine
CID 91204364
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 131052434
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
CID 65485946
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
N-methyl-1-phenylpropan-2-amine
CID 118309477

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine (CID 20979710) is 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine is CNC(C)CN(C)CCc1ccccc1.
What is the InChIKey of 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine?
The InChIKey is GBEGNPMPBBARSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(14-2)11-15(3)10-9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine?
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine is sourced from PubChem (CID 20979710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).