4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde

C14H18FNO2 — CID 54994433

IUPAC4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-9-11(10-18)5-6-14(13)16(7-8-17)12-3-1-2-4-12/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyUPFIIBOBCKVLFO-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds5

About 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde

4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde (PubChem CID 54994433) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
PubChem CID54994433
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-9-11(10-18)5-6-14(13)16(7-8-17)12-3-1-2-4-12/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyUPFIIBOBCKVLFO-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde?
The IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde (CID 54994433) is 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde.
What is the SMILES notation for 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde?
The canonical SMILES for 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde is O=Cc1ccc(N(CCO)C2CCCC2)c(F)c1.
What is the InChIKey of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde?
The InChIKey is UPFIIBOBCKVLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-9-11(10-18)5-6-14(13)16(7-8-17)12-3-1-2-4-12/h5-6,9-10,12,17H,1-4,7-8H2.
What are the key properties of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde?
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde has a molecular weight of 251.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde is sourced from PubChem (CID 54994433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).