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

C17H25F2N — CID 114458171

IUPAC1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1F)CC1CCCCCC1
InChIInChI=1S/C17H25F2N/c1-20-14(11-13-7-4-2-3-5-8-13)12-15-16(18)9-6-10-17(15)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3
InChIKeyXGTPGQIBPDFMKF-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.46
Rot. Bonds5

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

1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (PubChem CID 114458171) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
PubChem CID114458171
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1F)CC1CCCCCC1
InChIInChI=1S/C17H25F2N/c1-20-14(11-13-7-4-2-3-5-8-13)12-15-16(18)9-6-10-17(15)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3
InChIKeyXGTPGQIBPDFMKF-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
[1-cyclopropyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105254222
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932745
[1-cyclohexyl-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105296152
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(3-bromo-2,6-difluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 106274149

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (CID 114458171) is 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine is CNC(Cc1c(F)cccc1F)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The InChIKey is XGTPGQIBPDFMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-20-14(11-13-7-4-2-3-5-8-13)12-15-16(18)9-6-10-17(15)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3.
What are the key properties of 1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine has a molecular weight of 281.39 g/mol, XLogP of 4.46, 5 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-methylpropan-2-amine is sourced from PubChem (CID 114458171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).