1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol

C14H20FNO — CID 67487858

IUPAC1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESCC(O)N(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H20FNO/c1-11(17)16(14-4-2-3-5-14)10-12-6-8-13(15)9-7-12/h6-9,11,14,17H,2-5,10H2,1H3
InChIKeyNAULTICESDPJLN-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.91
Rot. Bonds4

About 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol

1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol (PubChem CID 67487858) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol
PubChem CID67487858
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESCC(O)N(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H20FNO/c1-11(17)16(14-4-2-3-5-14)10-12-6-8-13(15)9-7-12/h6-9,11,14,17H,2-5,10H2,1H3
InChIKeyNAULTICESDPJLN-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol?
The IUPAC name of 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol (CID 67487858) is 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol is CC(O)N(Cc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol?
The InChIKey is NAULTICESDPJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(17)16(14-4-2-3-5-14)10-12-6-8-13(15)9-7-12/h6-9,11,14,17H,2-5,10H2,1H3.
What are the key properties of 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol?
1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl-[(4-fluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 67487858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).