2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine

C17H26FN — CID 82933615

IUPAC2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNCC(c1ccc(F)cc1)C1CCCCCC1
InChIInChI=1S/C17H26FN/c1-2-19-13-17(14-7-5-3-4-6-8-14)15-9-11-16(18)12-10-15/h9-12,14,17,19H,2-8,13H2,1H3
InChIKeySWRCXMVXPPDEAT-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.49
Rot. Bonds5

About 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine

2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine (PubChem CID 82933615) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
PubChem CID82933615
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNCC(c1ccc(F)cc1)C1CCCCCC1
InChIInChI=1S/C17H26FN/c1-2-19-13-17(14-7-5-3-4-6-8-14)15-9-11-16(18)12-10-15/h9-12,14,17,19H,2-8,13H2,1H3
InChIKeySWRCXMVXPPDEAT-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441698
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 82933922
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 82937282
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 82936894

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine (CID 82933615) is 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine is CCNCC(c1ccc(F)cc1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is SWRCXMVXPPDEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-19-13-17(14-7-5-3-4-6-8-14)15-9-11-16(18)12-10-15/h9-12,14,17,19H,2-8,13H2,1H3.
What are the key properties of 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 82933615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).