1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine

C18H27F2N — CID 114458172

IUPAC1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1c(F)cccc1F)CC1CCCCCC1
InChIInChI=1S/C18H27F2N/c1-2-21-15(12-14-8-5-3-4-6-9-14)13-16-17(19)10-7-11-18(16)20/h7,10-11,14-15,21H,2-6,8-9,12-13H2,1H3
InChIKeyCDTKBHOACSWRLG-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.85
Rot. Bonds6

About 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine

1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 114458172) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID114458172
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1c(F)cccc1F)CC1CCCCCC1
InChIInChI=1S/C18H27F2N/c1-2-21-15(12-14-8-5-3-4-6-9-14)13-16-17(19)10-7-11-18(16)20/h7,10-11,14-15,21H,2-6,8-9,12-13H2,1H3
InChIKeyCDTKBHOACSWRLG-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-(2,6-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)-N-ethylpropan-2-amine
CID 105190645
1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 114931834
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
[1-cyclopropyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105254222
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine (CID 114458172) is 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1c(F)cccc1F)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is CDTKBHOACSWRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-2-21-15(12-14-8-5-3-4-6-9-14)13-16-17(19)10-7-11-18(16)20/h7,10-11,14-15,21H,2-6,8-9,12-13H2,1H3.
What are the key properties of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine?
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 114458172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).