1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C13H21FN2 — CID 43271936

IUPAC1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-10(2)9-16(3)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyFKELTVBFGWWSFZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine

1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 43271936) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID43271936
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-10(2)9-16(3)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyFKELTVBFGWWSFZ-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylpropyl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43271958
3-[[2-amino-1-(4-fluorophenyl)ethyl]-methylamino]-2-methylpropanenitrile
CID 55016728
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657342
1-(4-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54987179
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420134
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63843819

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 43271936) is 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(C)C(CN)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is FKELTVBFGWWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)9-16(3)13(8-15)11-4-6-12(14)7-5-11/h4-7,10,13H,8-9,15H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 43271936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).