2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine

C14H19F2N — CID 82084320

IUPAC2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H19F2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,17H2
InChIKeyHHYURDYWILMDTC-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.59
Rot. Bonds3

About 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine

2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine (PubChem CID 82084320) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
PubChem CID82084320
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H19F2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,17H2
InChIKeyHHYURDYWILMDTC-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83973668
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
CID 82292705
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine (CID 82084320) is 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine is NCC(c1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine?
The InChIKey is HHYURDYWILMDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,17H2.
What are the key properties of 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine?
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 82084320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).