N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline

C15H15ClFN — CID 43766127

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
SMILESCc1ccccc1NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-10-5-3-4-6-15(10)18-11(2)13-8-7-12(17)9-14(13)16/h3-9,11,18H,1-2H3
InChIKeyRNKGCXVYFYBSKG-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.96
Rot. Bonds3

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline (PubChem CID 43766127) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
PubChem CID43766127
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
SMILESCc1ccccc1NC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-10-5-3-4-6-15(10)18-11(2)13-8-7-12(17)9-14(13)16/h3-9,11,18H,1-2H3
InChIKeyRNKGCXVYFYBSKG-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
CID 43082336
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline (CID 43766127) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline is Cc1ccccc1NC(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline?
The InChIKey is RNKGCXVYFYBSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-5-3-4-6-15(10)18-11(2)13-8-7-12(17)9-14(13)16/h3-9,11,18H,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline has a molecular weight of 263.74 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43766127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).