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

C11H15ClFN — CID 60984555

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-11(2,3)14-7-8-6-9(12)4-5-10(8)13/h4-6,14H,7H2,1-3H3
InChIKeyGXGKZTZCDNBSAE-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.37
Rot. Bonds2

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

N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 60984555) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID60984555
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-11(2,3)14-7-8-6-9(12)4-5-10(8)13/h4-6,14H,7H2,1-3H3
InChIKeyGXGKZTZCDNBSAE-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132726
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050335
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-2-amine
CID 103050378
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
CID 115263054
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114850191
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine (CID 60984555) is N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is GXGKZTZCDNBSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,3)14-7-8-6-9(12)4-5-10(8)13/h4-6,14H,7H2,1-3H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60984555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).