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

C12H19FN2 — CID 65383918

IUPAC1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1ccccc1F
InChIInChI=1S/C12H19FN2/c1-9(2)8-15-12(7-14)10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyBPPUYWGYQZQAGR-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.07
Rot. Bonds5

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

1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65383918) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65383918
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1ccccc1F
InChIInChI=1S/C12H19FN2/c1-9(2)8-15-12(7-14)10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyBPPUYWGYQZQAGR-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616027
[1-(2-fluorophenyl)-3-methylbutyl]hydrazine
CID 105198906
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83820705
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
3-[1-(2-fluorophenyl)propylamino]-2-methylpropanenitrile
CID 112676990
1-(2,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385194
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912678
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 65383918) is 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNC(CN)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is BPPUYWGYQZQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)8-15-12(7-14)10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65383918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).