N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine

C18H28FN — CID 82933173

IUPACN-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(c1ccccc1F)C1CCCCCC1
InChIInChI=1S/C18H28FN/c1-14(2)20-13-17(15-9-5-3-4-6-10-15)16-11-7-8-12-18(16)19/h7-8,11-12,14-15,17,20H,3-6,9-10,13H2,1-2H3
InChIKeyJUGZCWMLRNASQN-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.88
Rot. Bonds5

About N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine

N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine (PubChem CID 82933173) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
PubChem CID82933173
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(c1ccccc1F)C1CCCCCC1
InChIInChI=1S/C18H28FN/c1-14(2)20-13-17(15-9-5-3-4-6-10-15)16-11-7-8-12-18(16)19/h7-8,11-12,14-15,17,20H,3-6,9-10,13H2,1-2H3
InChIKeyJUGZCWMLRNASQN-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644
N-[2-cyclohexyl-2-(2-fluorophenyl)ethyl]cyclopropanamine
CID 82934224
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 104819491
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 104819492
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82006977
2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 113456667

Frequently Asked Questions

What is the IUPAC name of N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine (CID 82933173) is N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine is CC(C)NCC(c1ccccc1F)C1CCCCCC1.
What is the InChIKey of N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is JUGZCWMLRNASQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-14(2)20-13-17(15-9-5-3-4-6-10-15)16-11-7-8-12-18(16)19/h7-8,11-12,14-15,17,20H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine?
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 277.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 82933173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).