N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine

C17H22FN — CID 56514294

IUPACN-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine
SMILESCC(c1ccccc1F)N(C1C=CCCC1)C1CC1
InChIInChI=1S/C17H22FN/c1-13(16-9-5-6-10-17(16)18)19(15-11-12-15)14-7-3-2-4-8-14/h3,5-7,9-10,13-15H,2,4,8,11-12H2,1H3
InChIKeyNMMLNNSSWQTISP-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.46
Rot. Bonds4

About N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine

N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine (PubChem CID 56514294) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine
PubChem CID56514294
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC NameN-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine
SMILESCC(c1ccccc1F)N(C1C=CCCC1)C1CC1
InChIInChI=1S/C17H22FN/c1-13(16-9-5-6-10-17(16)18)19(15-11-12-15)14-7-3-2-4-8-14/h3,5-7,9-10,13-15H,2,4,8,11-12H2,1H3
InChIKeyNMMLNNSSWQTISP-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine (CID 56514294) is N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine is CC(c1ccccc1F)N(C1C=CCCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is NMMLNNSSWQTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-13(16-9-5-6-10-17(16)18)19(15-11-12-15)14-7-3-2-4-8-14/h3,5-7,9-10,13-15H,2,4,8,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine?
N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 259.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 56514294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).