1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine

C11H15FN2 — CID 80562430

IUPAC1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(F)cc(NC2CC(N)C2)c1
InChIInChI=1S/C11H15FN2/c1-7-2-8(12)4-10(3-7)14-11-5-9(13)6-11/h2-4,9,11,14H,5-6,13H2,1H3
InChIKeyCGGUWFPTOWJBJX-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.04
Rot. Bonds2

About 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine

1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine (PubChem CID 80562430) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine
PubChem CID80562430
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(F)cc(NC2CC(N)C2)c1
InChIInChI=1S/C11H15FN2/c1-7-2-8(12)4-10(3-7)14-11-5-9(13)6-11/h2-4,9,11,14H,5-6,13H2,1H3
InChIKeyCGGUWFPTOWJBJX-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79740975
3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 79055270
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
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CID 130171740
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
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CID 79055105
1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
CID 79055593
N-(3-fluoro-5-methylphenyl)-5,5-dimethylthian-3-amine
CID 79958988
1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine
CID 107591345
1-N-(3,4,5-trimethoxyphenyl)cyclobutane-1,3-diamine
CID 80559249
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine (CID 80562430) is 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine is Cc1cc(F)cc(NC2CC(N)C2)c1.
What is the InChIKey of 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine?
The InChIKey is CGGUWFPTOWJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7-2-8(12)4-10(3-7)14-11-5-9(13)6-11/h2-4,9,11,14H,5-6,13H2,1H3.
What are the key properties of 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine?
1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine has a molecular weight of 194.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80562430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).