5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline

C16H16FNO — CID 107593757

IUPAC5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(-c2ccc(OC3CC3)cc2)cc1N
InChIInChI=1S/C16H16FNO/c1-10-8-15(17)14(9-16(10)18)11-2-4-12(5-3-11)19-13-6-7-13/h2-5,8-9,13H,6-7,18H2,1H3
InChIKeyOKKHCKPYDDKEEV-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.92
Rot. Bonds3

About 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline

5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline (PubChem CID 107593757) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline
PubChem CID107593757
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(-c2ccc(OC3CC3)cc2)cc1N
InChIInChI=1S/C16H16FNO/c1-10-8-15(17)14(9-16(10)18)11-2-4-12(5-3-11)19-13-6-7-13/h2-5,8-9,13H,6-7,18H2,1H3
InChIKeyOKKHCKPYDDKEEV-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
5-[4-(difluoromethylsulfanyl)phenyl]-4-fluoro-2-methylaniline
CID 107593629
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine
CID 90736825
4-fluoro-5-(furan-3-yl)-2-methylaniline
CID 107593676
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 115838370
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine
CID 114520332
2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane
CID 121367963
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline (CID 107593757) is 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline is Cc1cc(F)c(-c2ccc(OC3CC3)cc2)cc1N.
What is the InChIKey of 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline?
The InChIKey is OKKHCKPYDDKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-8-15(17)14(9-16(10)18)11-2-4-12(5-3-11)19-13-6-7-13/h2-5,8-9,13H,6-7,18H2,1H3.
What are the key properties of 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline?
5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline has a molecular weight of 257.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 107593757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).