N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine

C12H16ClF2N — CID 107446807

IUPACN-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)c1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClF2N/c1-12(2,3)16-7-11(15)9-6-8(14)4-5-10(9)13/h4-6,11,16H,7H2,1-3H3
InChIKeyMTOPYRAOOBPUSE-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine

N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine (PubChem CID 107446807) has the molecular formula C12H16ClF2N and a molecular weight of 247.72 g/mol. Its IUPAC name is N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine
PubChem CID107446807
Molecular FormulaC12H16ClF2N
Molecular Weight247.72 g/mol
Exact Mass247.09
IUPAC NameN-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)c1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClF2N/c1-12(2,3)16-7-11(15)9-6-8(14)4-5-10(9)13/h4-6,11,16H,7H2,1-3H3
InChIKeyMTOPYRAOOBPUSE-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83138456
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
[1-(2-chloro-5-fluorophenyl)-3,3-dimethylbutyl]hydrazine
CID 105397818
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 105395504
[1-(2-chloro-5-fluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 105397762
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396510
4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine
CID 83911513
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 107446735
N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446790

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine (CID 107446807) is N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)c1cc(F)ccc1Cl.
What is the InChIKey of N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The InChIKey is MTOPYRAOOBPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N/c1-12(2,3)16-7-11(15)9-6-8(14)4-5-10(9)13/h4-6,11,16H,7H2,1-3H3.
What are the key properties of N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine has a molecular weight of 247.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).