[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol

C13H18ClFN2O — CID 115358093

IUPAC[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol
SMILESNc1cc(Cl)c(F)cc1NCC1(CO)CCCC1
InChIInChI=1S/C13H18ClFN2O/c14-9-5-11(16)12(6-10(9)15)17-7-13(8-18)3-1-2-4-13/h5-6,17-18H,1-4,7-8,16H2
InChIKeyZPXRWPIPRATOKT-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.03
Rot. Bonds4

About [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol

[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol (PubChem CID 115358093) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol
PubChem CID115358093
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol
SMILESNc1cc(Cl)c(F)cc1NCC1(CO)CCCC1
InChIInChI=1S/C13H18ClFN2O/c14-9-5-11(16)12(6-10(9)15)17-7-13(8-18)3-1-2-4-13/h5-6,17-18H,1-4,7-8,16H2
InChIKeyZPXRWPIPRATOKT-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]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-[(2-amino-5-bromo-4-fluoroanilino)methyl]cyclohexyl]methanol
CID 116736218
[1-[(4-chloro-5-fluoro-2-nitroanilino)methyl]cyclohexyl]methanol
CID 103967307
[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
CID 66076669
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
1-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66076891
1-N-benzyl-4-chloro-5-fluorobenzene-1,2-diamine
CID 66079323
[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 81400977
[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 103965437
[1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]cyclopropyl]methanol
CID 103553357
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
CID 106166630

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol (CID 115358093) is [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol is Nc1cc(Cl)c(F)cc1NCC1(CO)CCCC1.
What is the InChIKey of [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol?
The InChIKey is ZPXRWPIPRATOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-9-5-11(16)12(6-10(9)15)17-7-13(8-18)3-1-2-4-13/h5-6,17-18H,1-4,7-8,16H2.
What are the key properties of [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol?
[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol has a molecular weight of 272.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).