[1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate

C13H20FN3O2 — CID 150523902

IUPAC[1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate
SMILESCN(C)c1cc(CC(C)(C)OC(N)=O)c(N)cc1F
InChIInChI=1S/C13H20FN3O2/c1-13(2,19-12(16)18)7-8-5-11(17(3)4)9(14)6-10(8)15/h5-6H,7,15H2,1-4H3,(H2,16,18)
InChIKeyICKFVDLAKKDPPW-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.89
Rot. Bonds4

About [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate

[1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 150523902) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate
PubChem CID150523902
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name[1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate
SMILESCN(C)c1cc(CC(C)(C)OC(N)=O)c(N)cc1F
InChIInChI=1S/C13H20FN3O2/c1-13(2,19-12(16)18)7-8-5-11(17(3)4)9(14)6-10(8)15/h5-6H,7,15H2,1-4H3,(H2,16,18)
InChIKeyICKFVDLAKKDPPW-UHFFFAOYSA-N
XLogP1.89
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[4-Fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid
CID 67985504
[1-[2-Amino-5-[cyclopropylmethyl(methyl)amino]-4-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 149647524
[1-[2-Amino-5-[methyl(propan-2-yl)amino]-4-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 150499809
[1-[2-Amino-5-(2-methylpropylamino)-4-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 150567975
[1-(2-Amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate
CID 150652983
[1-(2-Amino-5-fluorophenyl)-2-methylpropan-2-yl] carbamate
CID 150746894
[2-Methyl-1-[5-[methyl(2-methylpropyl)amino]-2-nitro-4-(trifluoromethyl)phenyl]propan-2-yl] carbamate
CID 151029780
[1-(2-Amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate
CID 151059714
[1-[5-(Dimethylamino)-4-fluoro-2-nitrophenyl]-2-methylpropan-2-yl] carbamate
CID 151166834
[1-[2-Amino-5-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 151366514
[1-[5-(Dimethylamino)-2-nitro-4-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 151812270
[1-[2-Amino-5-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 151943359

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate (CID 150523902) is [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate is CN(C)c1cc(CC(C)(C)OC(N)=O)c(N)cc1F.
What is the InChIKey of [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is ICKFVDLAKKDPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-13(2,19-12(16)18)7-8-5-11(17(3)4)9(14)6-10(8)15/h5-6H,7,15H2,1-4H3,(H2,16,18).
What are the key properties of [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate?
[1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 269.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-5-(dimethylamino)-4-fluorophenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150523902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).