[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol

C12H16Cl2N2O — CID 106890321

IUPAC[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol
SMILESNc1cc(Cl)c(NC2(CO)CCCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c13-9-5-8(15)6-10(14)11(9)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2
InChIKeyOBBSSHANOZRXBA-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.29
Rot. Bonds3

About [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol

[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol (PubChem CID 106890321) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol
PubChem CID106890321
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol
SMILESNc1cc(Cl)c(NC2(CO)CCCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c13-9-5-8(15)6-10(14)11(9)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2
InChIKeyOBBSSHANOZRXBA-UHFFFAOYSA-N
XLogP3.29
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4,6-diamino-3-chloro-2-fluoroanilino)cyclopentyl]methanol
CID 103553038
[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
CID 66076669
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
[1-[(5-amino-3-methyl-2-pyridinyl)amino]cyclopentyl]methanol
CID 62522773
[1-(3-amino-5-methoxyanilino)cyclohexyl]methanol
CID 80739666
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol
CID 62552151
[1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol
CID 80739767
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
[1-[(5-amino-2-pyridinyl)amino]cyclopentyl]methanol
CID 62523964
4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106296782
[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
CID 102757923

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol?
The IUPAC name of [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol (CID 106890321) is [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol is Nc1cc(Cl)c(NC2(CO)CCCC2)c(Cl)c1.
What is the InChIKey of [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol?
The InChIKey is OBBSSHANOZRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-9-5-8(15)6-10(14)11(9)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2.
What are the key properties of [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol?
[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol has a molecular weight of 275.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol is sourced from PubChem (CID 106890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).