5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

C16H17ClFNO — CID 43438309

IUPAC5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFNO/c1-10-4-7-16(20-3)13(8-10)11(2)19-15-9-12(17)5-6-14(15)18/h4-9,11,19H,1-3H3
InChIKeyPDUBUUBPEFOETB-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.97
Rot. Bonds4

About 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (PubChem CID 43438309) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
PubChem CID43438309
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H17ClFNO/c1-10-4-7-16(20-3)13(8-10)11(2)19-15-9-12(17)5-6-14(15)18/h4-9,11,19H,1-3H3
InChIKeyPDUBUUBPEFOETB-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
3-fluoro-4-[1-(2-methoxy-5-methylphenyl)ethylamino]benzonitrile
CID 78980856
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43545055
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (CID 43438309) is 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is COc1ccc(C)cc1C(C)Nc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The InChIKey is PDUBUUBPEFOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-4-7-16(20-3)13(8-10)11(2)19-15-9-12(17)5-6-14(15)18/h4-9,11,19H,1-3H3.
What are the key properties of 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline has a molecular weight of 293.77 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43438309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).