3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol

C14H22F2N2O — CID 104857903

IUPAC3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol
SMILESCCN(CC)c1ccc(CNCC(F)(F)CO)cc1
InChIInChI=1S/C14H22F2N2O/c1-3-18(4-2)13-7-5-12(6-8-13)9-17-10-14(15,16)11-19/h5-8,17,19H,3-4,9-11H2,1-2H3
InChIKeyPIDXVKHIGKMRFT-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.25
Rot. Bonds8

About 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol

3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857903) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857903
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol
SMILESCCN(CC)c1ccc(CNCC(F)(F)CO)cc1
InChIInChI=1S/C14H22F2N2O/c1-3-18(4-2)13-7-5-12(6-8-13)9-17-10-14(15,16)11-19/h5-8,17,19H,3-4,9-11H2,1-2H3
InChIKeyPIDXVKHIGKMRFT-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857699
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
3-[(3-bromo-4-methylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857841
2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
CID 115603020
4-[(2-bromoprop-2-enylamino)methyl]-N,N-diethylaniline
CID 115614882
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106173018
2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
CID 113462742
2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
CID 81412116
N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
CID 53351243

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol (CID 104857903) is 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol is CCN(CC)c1ccc(CNCC(F)(F)CO)cc1.
What is the InChIKey of 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is PIDXVKHIGKMRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-3-18(4-2)13-7-5-12(6-8-13)9-17-10-14(15,16)11-19/h5-8,17,19H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol?
3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 272.34 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).