3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine

C12H16FN — CID 116926413

IUPAC3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cc(CC2CC(N)C2)ccc1F
InChIInChI=1S/C12H16FN/c1-8-4-9(2-3-12(8)13)5-10-6-11(14)7-10/h2-4,10-11H,5-7,14H2,1H3
InChIKeyRMPCAPINMKOABP-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.41
Rot. Bonds2

About 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine

3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116926413) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID116926413
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cc(CC2CC(N)C2)ccc1F
InChIInChI=1S/C12H16FN/c1-8-4-9(2-3-12(8)13)5-10-6-11(14)7-10/h2-4,10-11H,5-7,14H2,1H3
InChIKeyRMPCAPINMKOABP-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 129199689
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine
CID 130531868
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871305
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
4-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 39243567
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine (CID 116926413) is 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine is Cc1cc(CC2CC(N)C2)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is RMPCAPINMKOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-4-9(2-3-12(8)13)5-10-6-11(14)7-10/h2-4,10-11H,5-7,14H2,1H3.
What are the key properties of 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine?
3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116926413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).