2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline

C16H17ClFN — CID 170538567

IUPAC2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline
SMILESCc1ccc(Nc2c(F)cccc2Cl)c(C(C)C)c1
InChIInChI=1S/C16H17ClFN/c1-10(2)12-9-11(3)7-8-15(12)19-16-13(17)5-4-6-14(16)18/h4-10,19H,1-3H3
InChIKeyYVNALAHODBBHKL-UHFFFAOYSA-N
MW277.77 g/mol
LogP5.65
Rot. Bonds3

About 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline

2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline (PubChem CID 170538567) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline
PubChem CID170538567
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline
SMILESCc1ccc(Nc2c(F)cccc2Cl)c(C(C)C)c1
InChIInChI=1S/C16H17ClFN/c1-10(2)12-9-11(3)7-8-15(12)19-16-13(17)5-4-6-14(16)18/h4-10,19H,1-3H3
InChIKeyYVNALAHODBBHKL-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.77
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-Fluorophenyl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10825740
(3,5-Dichloro-Phenyl)-(2,4,6-Trimethyl-Phenyl)-Amine
CID 71562077
(2,5-Dichlorophenyl)-(2,4,6-trimethylphenyl)-amine
CID 71562078
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylaniline
CID 124203912
N-[3-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trimethylaniline
CID 127043193
N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline
CID 127044543
N-(2,4-dichloro-6-methylphenyl)-2,4,6-trimethylaniline
CID 127044578
N-(3-chloro-4-fluorophenyl)-2,4,6-trimethylaniline
CID 127043186
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylaniline
CID 127044544
N-(3-Fluorophenyl)-2,4,6-trimethylaniline
CID 127044703
N-(3-chloro-5-fluorophenyl)-2,4,6-trimethylaniline
CID 127044759
N-(4-chloro-3-fluorophenyl)-2,4,6-trimethylaniline
CID 127045030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline?
The IUPAC name of 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline (CID 170538567) is 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline is Cc1ccc(Nc2c(F)cccc2Cl)c(C(C)C)c1.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline?
The InChIKey is YVNALAHODBBHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10(2)12-9-11(3)7-8-15(12)19-16-13(17)5-4-6-14(16)18/h4-10,19H,1-3H3.
What are the key properties of 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline?
2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline has a molecular weight of 277.77 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(4-methyl-2-propan-2-ylphenyl)aniline is sourced from PubChem (CID 170538567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).