N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine

C16H27FN2 — CID 115252941

IUPACN-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)CCc1ccccc1F)C(C)C
InChIInChI=1S/C16H27FN2/c1-13(2)15(11-18-3)12-19(4)10-9-14-7-5-6-8-16(14)17/h5-8,13,15,18H,9-12H2,1-4H3
InChIKeyXQTWZHMBKSDTFY-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.79
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine

N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252941) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252941
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)CCc1ccccc1F)C(C)C
InChIInChI=1S/C16H27FN2/c1-13(2)15(11-18-3)12-19(4)10-9-14-7-5-6-8-16(14)17/h5-8,13,15,18H,9-12H2,1-4H3
InChIKeyXQTWZHMBKSDTFY-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254701
N-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252866
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187422
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255197

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 115252941) is N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine is CNCC(CN(C)CCc1ccccc1F)C(C)C.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is XQTWZHMBKSDTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-13(2)15(11-18-3)12-19(4)10-9-14-7-5-6-8-16(14)17/h5-8,13,15,18H,9-12H2,1-4H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).