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

C16H17ClFNO — CID 107364338

IUPAC3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-10-4-5-16(20-3)15(6-10)11(2)19-14-8-12(17)7-13(18)9-14/h4-9,11,19H,1-3H3
InChIKeyWEGKPWCUSBRINQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.97
Rot. Bonds4

About 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (PubChem CID 107364338) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
PubChem CID107364338
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-10-4-5-16(20-3)15(6-10)11(2)19-14-8-12(17)7-13(18)9-14/h4-9,11,19H,1-3H3
InChIKeyWEGKPWCUSBRINQ-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

5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107364141
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616973
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
N-[4-[1-(2-methoxy-5-methylphenyl)ethylamino]phenyl]acetamide
CID 43824770
3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
CID 107364114
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (CID 107364338) is 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is COc1ccc(C)cc1C(C)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The InChIKey is WEGKPWCUSBRINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-4-5-16(20-3)15(6-10)11(2)19-14-8-12(17)7-13(18)9-14/h4-9,11,19H,1-3H3.
What are the key properties of 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
3-chloro-5-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 3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is sourced from PubChem (CID 107364338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).