2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine

C14H18F3N — CID 64907785

IUPAC2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2cc(F)c(F)c(F)c2)C1C
InChIInChI=1S/C14H18F3N/c1-8-3-4-13(9(8)2)18-7-10-5-11(15)14(17)12(16)6-10/h5-6,8-9,13,18H,3-4,7H2,1-2H3
InChIKeyGZTWXPIUSWFCLI-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.63
Rot. Bonds3

About 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine

2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine (PubChem CID 64907785) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
PubChem CID64907785
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2cc(F)c(F)c(F)c2)C1C
InChIInChI=1S/C14H18F3N/c1-8-3-4-13(9(8)2)18-7-10-5-11(15)14(17)12(16)6-10/h5-6,8-9,13,18H,3-4,7H2,1-2H3
InChIKeyGZTWXPIUSWFCLI-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine (CID 64907785) is 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine is CC1CCC(NCc2cc(F)c(F)c(F)c2)C1C.
What is the InChIKey of 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is GZTWXPIUSWFCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-8-3-4-13(9(8)2)18-7-10-5-11(15)14(17)12(16)6-10/h5-6,8-9,13,18H,3-4,7H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64907785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).