2-fluoro-2-(4-methylcyclohexyl)butan-1-amine

C11H22FN — CID 112565905

IUPAC2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
SMILESCCC(F)(CN)C1CCC(C)CC1
InChIInChI=1S/C11H22FN/c1-3-11(12,8-13)10-6-4-9(2)5-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyTYYSXERGZXXFEE-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.89
Rot. Bonds3

About 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine

2-fluoro-2-(4-methylcyclohexyl)butan-1-amine (PubChem CID 112565905) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
PubChem CID112565905
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
SMILESCCC(F)(CN)C1CCC(C)CC1
InChIInChI=1S/C11H22FN/c1-3-11(12,8-13)10-6-4-9(2)5-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyTYYSXERGZXXFEE-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine
CID 112566172
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
CID 112567040
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239888
1-amino-2-(4-methylcyclohexyl)propan-2-ol
CID 66039594
2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530893
2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239786
1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
CID 140689381
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine (CID 112565905) is 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine is CCC(F)(CN)C1CCC(C)CC1.
What is the InChIKey of 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine?
The InChIKey is TYYSXERGZXXFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-3-11(12,8-13)10-6-4-9(2)5-7-10/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine?
2-fluoro-2-(4-methylcyclohexyl)butan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 112565905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).