5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline

C18H22FNO — CID 43097181

IUPAC5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22FNO/c1-12(2)21-17-9-6-15(7-10-17)14(4)20-18-11-16(19)8-5-13(18)3/h5-12,14,20H,1-4H3
InChIKeyUAJDAUCVNHICBJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.09
Rot. Bonds5

About 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline

5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline (PubChem CID 43097181) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
PubChem CID43097181
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22FNO/c1-12(2)21-17-9-6-15(7-10-17)14(4)20-18-11-16(19)8-5-13(18)3/h5-12,14,20H,1-4H3
InChIKeyUAJDAUCVNHICBJ-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43104475
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
2-bromo-5-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 82745570

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline (CID 43097181) is 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline is Cc1ccc(F)cc1NC(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
The InChIKey is UAJDAUCVNHICBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)21-17-9-6-15(7-10-17)14(4)20-18-11-16(19)8-5-13(18)3/h5-12,14,20H,1-4H3.
What are the key properties of 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline?
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline has a molecular weight of 287.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline is sourced from PubChem (CID 43097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).