1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine

C11H17FN2 — CID 116933824

IUPAC1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
SMILESCNCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-14-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11,14H,2-3,8,13H2,1H3
InChIKeySQTFSBQNKFQOBJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine

1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine (PubChem CID 116933824) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
PubChem CID116933824
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
SMILESCNCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-14-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11,14H,2-3,8,13H2,1H3
InChIKeySQTFSBQNKFQOBJ-UHFFFAOYSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-N'-methylbutane-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

1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(4-fluorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine
CID 15181339
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
CID 83918946
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401
1-(4-fluorophenyl)-N'-hexadecylpropane-1,3-diamine;dihydrochloride
CID 19996168
1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
CID 116932886
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine (CID 116933824) is 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine is CNCCCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is SQTFSBQNKFQOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-14-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11,14H,2-3,8,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine?
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 116933824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).