N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine

C13H20F2N2 — CID 130863316

IUPACN'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccccc1)C(F)F
InChIInChI=1S/C13H20F2N2/c1-11(13(14)15)16-8-9-17(2)10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyQMZNPLCZLZTWEK-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.36
Rot. Bonds7

About N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine

N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 130863316) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID130863316
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC NameN'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccccc1)C(F)F
InChIInChI=1S/C13H20F2N2/c1-11(13(14)15)16-8-9-17(2)10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyQMZNPLCZLZTWEK-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 55085477
N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 97230507
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
CID 43089029
N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806685
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine (CID 130863316) is N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine is CC(NCCN(C)Cc1ccccc1)C(F)F.
What is the InChIKey of N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is QMZNPLCZLZTWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-11(13(14)15)16-8-9-17(2)10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3.
What are the key properties of N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine?
N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 130863316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).