N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline

C16H17ClFNO2 — CID 83058969

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C16H17ClFNO2/c1-10(11-4-6-13(17)14(18)8-11)19-15-9-12(20-2)5-7-16(15)21-3/h4-10,19H,1-3H3
InChIKeyLVJRJZKKNHTJRC-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.67
Rot. Bonds5

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline (PubChem CID 83058969) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
PubChem CID83058969
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C16H17ClFNO2/c1-10(11-4-6-13(17)14(18)8-11)19-15-9-12(20-2)5-7-16(15)21-3/h4-10,19H,1-3H3
InChIKeyLVJRJZKKNHTJRC-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
CID 83058858
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
CID 103935877
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline (CID 83058969) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NC(C)c2ccc(Cl)c(F)c2)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is LVJRJZKKNHTJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-10(11-4-6-13(17)14(18)8-11)19-15-9-12(20-2)5-7-16(15)21-3/h4-10,19H,1-3H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 309.77 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 83058969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).