[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol

C14H19F3N2O — CID 106360126

IUPAC[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol
SMILESNCC(NC1CCCC1CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c15-10-4-9(5-11(16)14(10)17)13(6-18)19-12-3-1-2-8(12)7-20/h4-5,8,12-13,19-20H,1-3,6-7,18H2
InChIKeyYQRUMKZSTKOSFF-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.85
Rot. Bonds5

About [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol

[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol (PubChem CID 106360126) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol
PubChem CID106360126
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol
SMILESNCC(NC1CCCC1CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c15-10-4-9(5-11(16)14(10)17)13(6-18)19-12-3-1-2-8(12)7-20/h4-5,8,12-13,19-20H,1-3,6-7,18H2
InChIKeyYQRUMKZSTKOSFF-UHFFFAOYSA-N
XLogP1.85
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol (CID 106360126) is [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol is NCC(NC1CCCC1CO)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol?
The InChIKey is YQRUMKZSTKOSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-10-4-9(5-11(16)14(10)17)13(6-18)19-12-3-1-2-8(12)7-20/h4-5,8,12-13,19-20H,1-3,6-7,18H2.
What are the key properties of [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol?
[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol has a molecular weight of 288.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106360126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).