1-(4-fluorophenyl)pentane-1,4-diamine

C11H17FN2 — CID 116934284

IUPAC1-(4-fluorophenyl)pentane-1,4-diamine
SMILESCC(N)CCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11H,2,7,13-14H2,1H3
InChIKeyWGXPRESHMFMNAD-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.95
Rot. Bonds4

About 1-(4-fluorophenyl)pentane-1,4-diamine

1-(4-fluorophenyl)pentane-1,4-diamine (PubChem CID 116934284) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)pentane-1,4-diamine
PubChem CID116934284
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(4-fluorophenyl)pentane-1,4-diamine
SMILESCC(N)CCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11H,2,7,13-14H2,1H3
InChIKeyWGXPRESHMFMNAD-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)pentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302
1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
CID 116934362
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pentane-1,4-diamine?
The IUPAC name of 1-(4-fluorophenyl)pentane-1,4-diamine (CID 116934284) is 1-(4-fluorophenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)pentane-1,4-diamine?
The canonical SMILES for 1-(4-fluorophenyl)pentane-1,4-diamine is CC(N)CCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)pentane-1,4-diamine?
The InChIKey is WGXPRESHMFMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11H,2,7,13-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)pentane-1,4-diamine?
1-(4-fluorophenyl)pentane-1,4-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pentane-1,4-diamine is sourced from PubChem (CID 116934284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).