[1-(4-chloroanilino)-3-ethylcyclopentyl]methanol

C14H20ClNO — CID 64514780

IUPAC[1-(4-chloroanilino)-3-ethylcyclopentyl]methanol
SMILESCCC1CCC(CO)(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-2-11-7-8-14(9-11,10-17)16-13-5-3-12(15)4-6-13/h3-6,11,16-17H,2,7-10H2,1H3
InChIKeyNADDSZPDCGEUHO-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds4

About [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol

[1-(4-chloroanilino)-3-ethylcyclopentyl]methanol (PubChem CID 64514780) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-chloroanilino)-3-ethylcyclopentyl]methanol
PubChem CID64514780
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-(4-chloroanilino)-3-ethylcyclopentyl]methanol
SMILESCCC1CCC(CO)(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-2-11-7-8-14(9-11,10-17)16-13-5-3-12(15)4-6-13/h3-6,11,16-17H,2,7-10H2,1H3
InChIKeyNADDSZPDCGEUHO-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol?
The IUPAC name of [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol (CID 64514780) is [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol.
What is the SMILES notation for [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol?
The canonical SMILES for [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol is CCC1CCC(CO)(Nc2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol?
The InChIKey is NADDSZPDCGEUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-11-7-8-14(9-11,10-17)16-13-5-3-12(15)4-6-13/h3-6,11,16-17H,2,7-10H2,1H3.
What are the key properties of [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol?
[1-(4-chloroanilino)-3-ethylcyclopentyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloroanilino)-3-ethylcyclopentyl]methanol is sourced from PubChem (CID 64514780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).