2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol

C12H16F2N2O — CID 115507102

IUPAC2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
SMILESNc1c(F)cc(F)cc1NCC1CCCC1O
InChIInChI=1S/C12H16F2N2O/c13-8-4-9(14)12(15)10(5-8)16-6-7-2-1-3-11(7)17/h4-5,7,11,16-17H,1-3,6,15H2
InChIKeyLGGUJOORHXXYBZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.12
Rot. Bonds3

About 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol

2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol (PubChem CID 115507102) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
PubChem CID115507102
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
SMILESNc1c(F)cc(F)cc1NCC1CCCC1O
InChIInChI=1S/C12H16F2N2O/c13-8-4-9(14)12(15)10(5-8)16-6-7-2-1-3-11(7)17/h4-5,7,11,16-17H,1-3,6,15H2
InChIKeyLGGUJOORHXXYBZ-UHFFFAOYSA-N
XLogP2.12
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
CID 115469089
3,5-difluoro-1-N-[(1-methylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 113325246
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
1-N-(2,2-dicyclopropylethyl)-3,5-difluorobenzene-1,2-diamine
CID 113325330
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
4-amino-3-[(2-hydroxycyclopentyl)methylamino]benzonitrile
CID 104712081
2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 64929806
2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol
CID 66082322
2-[[(5-amino-3-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 104535099
3,5-difluoro-1-N-[2-(oxolan-3-yl)ethyl]benzene-1,2-diamine
CID 114129599
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
CID 130503893

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol (CID 115507102) is 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol is Nc1c(F)cc(F)cc1NCC1CCCC1O.
What is the InChIKey of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
The InChIKey is LGGUJOORHXXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-8-4-9(14)12(15)10(5-8)16-6-7-2-1-3-11(7)17/h4-5,7,11,16-17H,1-3,6,15H2.
What are the key properties of 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol?
2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol has a molecular weight of 242.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115507102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).