3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine

C15H21ClFN — CID 102620493

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Cc2cc(F)ccc2Cl)C1C
InChIInChI=1S/C15H21ClFN/c1-3-18-15-7-4-11(10(15)2)8-12-9-13(17)5-6-14(12)16/h5-6,9-11,15,18H,3-4,7-8H2,1-2H3
InChIKeyYLSKDUYJZTYRMJ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.05
Rot. Bonds4

About 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine

3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 102620493) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID102620493
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Cc2cc(F)ccc2Cl)C1C
InChIInChI=1S/C15H21ClFN/c1-3-18-15-7-4-11(10(15)2)8-12-9-13(17)5-6-14(12)16/h5-6,9-11,15,18H,3-4,7-8H2,1-2H3
InChIKeyYLSKDUYJZTYRMJ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine (CID 102620493) is 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine is CCNC1CCC(Cc2cc(F)ccc2Cl)C1C.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is YLSKDUYJZTYRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-3-18-15-7-4-11(10(15)2)8-12-9-13(17)5-6-14(12)16/h5-6,9-11,15,18H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine?
3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 102620493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).