N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine

C11H15ClFN — CID 28586559

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-11(2,3)14-7-8-4-5-9(13)6-10(8)12/h4-6,14H,7H2,1-3H3
InChIKeyXPEJPXYCWOGEON-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.37
Rot. Bonds2

About N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine

N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 28586559) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID28586559
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-11(2,3)14-7-8-4-5-9(13)6-10(8)12/h4-6,14H,7H2,1-3H3
InChIKeyXPEJPXYCWOGEON-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

1-(2-chloro-4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723330
1-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-2-phenylpropan-2-amine
CID 105059408
N-tert-butyl-2-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83138456
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
CID 107573481
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine (CID 28586559) is N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is XPEJPXYCWOGEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,3)14-7-8-4-5-9(13)6-10(8)12/h4-6,14H,7H2,1-3H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-chloro-4-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-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 28586559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).