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

C15H21F2N — CID 83973673

IUPAC2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)c(F)c1)C1CCCCCC1
InChIInChI=1S/C15H21F2N/c16-14-8-7-12(9-15(14)17)13(10-18)11-5-3-1-2-4-6-11/h7-9,11,13H,1-6,10,18H2
InChIKeyUCSLPEYLJVSTPY-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.98
Rot. Bonds3

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

2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine (PubChem CID 83973673) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
PubChem CID83973673
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)c(F)c1)C1CCCCCC1
InChIInChI=1S/C15H21F2N/c16-14-8-7-12(9-15(14)17)13(10-18)11-5-3-1-2-4-6-11/h7-9,11,13H,1-6,10,18H2
InChIKeyUCSLPEYLJVSTPY-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
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-cycloheptyl-2-(3,4-difluorophenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine (CID 83973673) is 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine is NCC(c1ccc(F)c(F)c1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine?
The InChIKey is UCSLPEYLJVSTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-14-8-7-12(9-15(14)17)13(10-18)11-5-3-1-2-4-6-11/h7-9,11,13H,1-6,10,18H2.
What are the key properties of 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine?
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 83973673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).