2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine

C6H15FN2 — CID 142196166

IUPAC2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)C(C)F
InChIInChI=1S/C6H15FN2/c1-5(7)6(3-8)4-9-2/h5-6,9H,3-4,8H2,1-2H3
InChIKeyVJSOZFQATRKGON-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.14
Rot. Bonds4

About 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine

2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine (PubChem CID 142196166) has the molecular formula C6H15FN2 and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
PubChem CID142196166
Molecular FormulaC6H15FN2
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Name2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)C(C)F
InChIInChI=1S/C6H15FN2/c1-5(7)6(3-8)4-9-2/h5-6,9H,3-4,8H2,1-2H3
InChIKeyVJSOZFQATRKGON-UHFFFAOYSA-N
XLogP0.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103
4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
CID 134163261
ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973
(2R)-3-N-methylpropane-1,2,3-triamine
CID 155906228
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 84716612
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
2,4-difluoro-N-methylbutan-1-amine
CID 147861140
2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
(2S)-2-fluoro-N,5-dimethylhexan-1-amine
CID 129462625
ethane;2-ethyl-N'-methylpropane-1,3-diamine
CID 144511427

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine (CID 142196166) is 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine is CNCC(CN)C(C)F.
What is the InChIKey of 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is VJSOZFQATRKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2/c1-5(7)6(3-8)4-9-2/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine?
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 134.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 142196166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).