1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol

C15H22F2N2O — CID 79390187

IUPAC1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C15H22F2N2O/c1-15(2,20)9-19(3)14-12(16)6-10(7-13(14)17)8-18-11-4-5-11/h6-7,11,18,20H,4-5,8-9H2,1-3H3
InChIKeyUAERUCWECGQLJU-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.42
Rot. Bonds6

About 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol

1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol (PubChem CID 79390187) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol
PubChem CID79390187
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C15H22F2N2O/c1-15(2,20)9-19(3)14-12(16)6-10(7-13(14)17)8-18-11-4-5-11/h6-7,11,18,20H,4-5,8-9H2,1-3H3
InChIKeyUAERUCWECGQLJU-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63051095
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625
N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide
CID 63077147
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454401
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol (CID 79390187) is 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1c(F)cc(CNC2CC2)cc1F.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol?
The InChIKey is UAERUCWECGQLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-15(2,20)9-19(3)14-12(16)6-10(7-13(14)17)8-18-11-4-5-11/h6-7,11,18,20H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol?
1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol has a molecular weight of 284.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).