N'-[(4-fluorophenyl)methyl]butane-1,4-diamine

C11H17FN2 — CID 11140144

IUPACN'-[(4-fluorophenyl)methyl]butane-1,4-diamine
SMILESNCCCCNCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c12-11-5-3-10(4-6-11)9-14-8-2-1-7-13/h3-6,14H,1-2,7-9,13H2
InChIKeyYAIUKLFVCVSOAE-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.65
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]butane-1,4-diamine

N'-[(4-fluorophenyl)methyl]butane-1,4-diamine (PubChem CID 11140144) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]butane-1,4-diamine
PubChem CID11140144
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN'-[(4-fluorophenyl)methyl]butane-1,4-diamine
SMILESNCCCCNCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c12-11-5-3-10(4-6-11)9-14-8-2-1-7-13/h3-6,14H,1-2,7-9,13H2
InChIKeyYAIUKLFVCVSOAE-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid
CID 11673206
[4-[(4-aminobutylamino)methyl]phenyl]boronic acid;hydrochloride
CID 73355711
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 131938810
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
2-[(4-fluorophenyl)methylamino]ethanethiol
CID 83960596

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]butane-1,4-diamine (CID 11140144) is N'-[(4-fluorophenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]butane-1,4-diamine is NCCCCNCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
The InChIKey is YAIUKLFVCVSOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-11-5-3-10(4-6-11)9-14-8-2-1-7-13/h3-6,14H,1-2,7-9,13H2.
What are the key properties of N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 11140144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).