2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine

C11H17FN2 — CID 83930930

IUPAC2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
SMILESCC(c1ccc(F)cc1)C(CN)CN
InChIInChI=1S/C11H17FN2/c1-8(10(6-13)7-14)9-2-4-11(12)5-3-9/h2-5,8,10H,6-7,13-14H2,1H3
InChIKeyOPHDFGXKAHOJIM-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.46
Rot. Bonds4

About 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine

2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine (PubChem CID 83930930) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
PubChem CID83930930
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
SMILESCC(c1ccc(F)cc1)C(CN)CN
InChIInChI=1S/C11H17FN2/c1-8(10(6-13)7-14)9-2-4-11(12)5-3-9/h2-5,8,10H,6-7,13-14H2,1H3
InChIKeyOPHDFGXKAHOJIM-UHFFFAOYSA-N
XLogP1.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
2-[3-(4-aminophenyl)butan-2-yl]propane-1,3-diamine
CID 83928445
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82023265
4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol
CID 83922958
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913486

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine (CID 83930930) is 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine is CC(c1ccc(F)cc1)C(CN)CN.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine?
The InChIKey is OPHDFGXKAHOJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8(10(6-13)7-14)9-2-4-11(12)5-3-9/h2-5,8,10H,6-7,13-14H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine?
2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83930930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).