3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde

C14H18ClNO2 — CID 81145443

IUPAC3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(CCO)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/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
InChIKeyKPIAGALLZDRSPY-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.89
Rot. Bonds5

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

3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde (PubChem CID 81145443) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
PubChem CID81145443
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(CCO)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/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
InChIKeyKPIAGALLZDRSPY-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
5-bromo-2-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114061228
3-chloro-4-[cyclopropyl(2-methylpropyl)amino]benzaldehyde
CID 81145699
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863479
(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78940497
4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
CID 102863660
3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
CID 102632644
2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
CID 102865921
3-[2-chloro-N-cyclobutyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864703
2-(4-chloro-N-cyclopentyl-5-fluoro-2-nitroanilino)ethanol
CID 66079579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The IUPAC name of 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde (CID 81145443) is 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The canonical SMILES for 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde is O=Cc1ccc(N(CCO)C2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
The InChIKey is KPIAGALLZDRSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/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 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde?
3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde has a molecular weight of 267.76 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde is sourced from PubChem (CID 81145443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).