N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline

C17H19ClFNO — CID 102848913

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-12(14-7-8-15(18)16(19)11-14)20-17-6-4-3-5-13(17)9-10-21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyNHGKWVJOWOKIJZ-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.84
Rot. Bonds6

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline (PubChem CID 102848913) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
PubChem CID102848913
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-12(14-7-8-15(18)16(19)11-14)20-17-6-4-3-5-13(17)9-10-21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyNHGKWVJOWOKIJZ-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
CID 43687355
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102849008
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 83069768
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
CID 102848911

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline (CID 102848913) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
The InChIKey is NHGKWVJOWOKIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-12(14-7-8-15(18)16(19)11-14)20-17-6-4-3-5-13(17)9-10-21-2/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline has a molecular weight of 307.80 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102848913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).