4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine

C15H22FN — CID 112562344

IUPAC4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine
SMILESCc1ccc(CC2(F)CCC(N)CC2)cc1C
InChIInChI=1S/C15H22FN/c1-11-3-4-13(9-12(11)2)10-15(16)7-5-14(17)6-8-15/h3-4,9,14H,5-8,10,17H2,1-2H3
InChIKeyILVMCZXNKYOVFH-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.46
Rot. Bonds2

About 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine

4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine (PubChem CID 112562344) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine
PubChem CID112562344
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine
SMILESCc1ccc(CC2(F)CCC(N)CC2)cc1C
InChIInChI=1S/C15H22FN/c1-11-3-4-13(9-12(11)2)10-15(16)7-5-14(17)6-8-15/h3-4,9,14H,5-8,10,17H2,1-2H3
InChIKeyILVMCZXNKYOVFH-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 112565666
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539985
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63407188
4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
CID 116540815
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
CID 66466946

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine (CID 112562344) is 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine is Cc1ccc(CC2(F)CCC(N)CC2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine?
The InChIKey is ILVMCZXNKYOVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-3-4-13(9-12(11)2)10-15(16)7-5-14(17)6-8-15/h3-4,9,14H,5-8,10,17H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine?
4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).