1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol

C14H20F2N2O — CID 114947310

IUPAC1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H20F2N2O/c1-18(9-14(19)6-2-3-7-14)12-5-4-10(17)8-11(12)13(15)16/h4-5,8,13,19H,2-3,6-7,9,17H2,1H3
InChIKeyOZPUPLAPMJCAFY-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.95
Rot. Bonds4

About 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol

1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol (PubChem CID 114947310) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
PubChem CID114947310
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H20F2N2O/c1-18(9-14(19)6-2-3-7-14)12-5-4-10(17)8-11(12)13(15)16/h4-5,8,13,19H,2-3,6-7,9,17H2,1H3
InChIKeyOZPUPLAPMJCAFY-UHFFFAOYSA-N
XLogP2.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
2-[4-amino-2-(difluoromethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 63734078
2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine
CID 63734627
1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol
CID 114947477
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950295
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947090
2-(difluoromethyl)-1-N-methyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
CID 63734774
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol (CID 114947310) is 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ccc(N)cc1C(F)F.
What is the InChIKey of 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol?
The InChIKey is OZPUPLAPMJCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-18(9-14(19)6-2-3-7-14)12-5-4-10(17)8-11(12)13(15)16/h4-5,8,13,19H,2-3,6-7,9,17H2,1H3.
What are the key properties of 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol?
1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol has a molecular weight of 270.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114947310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).