2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine

C17H25F2N — CID 116789098

IUPAC2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
SMILESCC1CCC(CCNCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C17H25F2N/c1-14-7-9-15(10-8-14)11-12-20-13-17(18,19)16-5-3-2-4-6-16/h2-6,14-15,20H,7-13H2,1H3
InChIKeyIHWVVVXAPIBCAR-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.58
Rot. Bonds6

About 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine

2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine (PubChem CID 116789098) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
PubChem CID116789098
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
SMILESCC1CCC(CCNCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C17H25F2N/c1-14-7-9-15(10-8-14)11-12-20-13-17(18,19)16-5-3-2-4-6-16/h2-6,14-15,20H,7-13H2,1H3
InChIKeyIHWVVVXAPIBCAR-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylethanamine
CID 114515675
N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
CID 116789072
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
CID 116788979
2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
CID 66419053
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166921
6-bromo-N-(2,2-difluoro-2-phenylethyl)hexan-1-amine
CID 107844571
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790557
2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
CID 116788721

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine?
The IUPAC name of 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine (CID 116789098) is 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine?
The canonical SMILES for 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine is CC1CCC(CCNCC(F)(F)c2ccccc2)CC1.
What is the InChIKey of 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine?
The InChIKey is IHWVVVXAPIBCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-14-7-9-15(10-8-14)11-12-20-13-17(18,19)16-5-3-2-4-6-16/h2-6,14-15,20H,7-13H2,1H3.
What are the key properties of 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine?
2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine has a molecular weight of 281.39 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 116789098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).