2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline

C16H17ClFNO — CID 43773957

IUPAC2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1Cl)c1ccccc1OC
InChIInChI=1S/C16H17ClFNO/c1-3-14(12-6-4-5-7-16(12)20-2)19-15-9-8-11(18)10-13(15)17/h4-10,14,19H,3H2,1-2H3
InChIKeyAGYFDXYTFVTKPI-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.05
Rot. Bonds5

About 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline

2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline (PubChem CID 43773957) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
PubChem CID43773957
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1Cl)c1ccccc1OC
InChIInChI=1S/C16H17ClFNO/c1-3-14(12-6-4-5-7-16(12)20-2)19-15-9-8-11(18)10-13(15)17/h4-10,14,19H,3H2,1-2H3
InChIKeyAGYFDXYTFVTKPI-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43786118
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773726
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline (CID 43773957) is 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline is CCC(Nc1ccc(F)cc1Cl)c1ccccc1OC.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
The InChIKey is AGYFDXYTFVTKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-14(12-6-4-5-7-16(12)20-2)19-15-9-8-11(18)10-13(15)17/h4-10,14,19H,3H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline?
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline has a molecular weight of 293.77 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 43773957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).