3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

C14H19F2N — CID 105376474

IUPAC3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(F)cc1CC1(F)CCCC(N)C1
InChIInChI=1S/C14H19F2N/c1-10-4-5-12(15)7-11(10)8-14(16)6-2-3-13(17)9-14/h4-5,7,13H,2-3,6,8-9,17H2,1H3
InChIKeyYRXXEIOZJWTONK-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.29
Rot. Bonds2

About 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 105376474) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID105376474
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(F)cc1CC1(F)CCCC(N)C1
InChIInChI=1S/C14H19F2N/c1-10-4-5-12(15)7-11(10)8-14(16)6-2-3-13(17)9-14/h4-5,7,13H,2-3,6,8-9,17H2,1H3
InChIKeyYRXXEIOZJWTONK-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 102622008
3-[(2-chloro-4-methylphenyl)methyl]-3-fluorocyclohexan-1-amine
CID 106871133
3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 105411759
3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
CID 105372944
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol
CID 80561274
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (CID 105376474) is 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(F)cc1CC1(F)CCCC(N)C1.
What is the InChIKey of 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is YRXXEIOZJWTONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-4-5-12(15)7-11(10)8-14(16)6-2-3-13(17)9-14/h4-5,7,13H,2-3,6,8-9,17H2,1H3.
What are the key properties of 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 105376474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).