1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine

C15H20F3N — CID 105188329

IUPAC1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F3N/c1-10-8-13(16)3-2-12(10)9-14(19)11-4-6-15(17,18)7-5-11/h2-3,8,11,14H,4-7,9,19H2,1H3
InChIKeyOXGIFIHSKKZLRL-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.83
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine

1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105188329) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105188329
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20F3N/c1-10-8-13(16)3-2-12(10)9-14(19)11-4-6-15(17,18)7-5-11/h2-3,8,11,14H,4-7,9,19H2,1H3
InChIKeyOXGIFIHSKKZLRL-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethanamine
CID 114348186
2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
CID 105087726
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
[1-(3,3-difluorocyclopentyl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114216956
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105188329) is 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is OXGIFIHSKKZLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-8-13(16)3-2-12(10)9-14(19)11-4-6-15(17,18)7-5-11/h2-3,8,11,14H,4-7,9,19H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105188329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).