2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline

C16H18FNO — CID 43122780

IUPAC2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
SMILESCOc1cccc(C(C)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C16H18FNO/c1-11-7-8-15(17)16(9-11)18-12(2)13-5-4-6-14(10-13)19-3/h4-10,12,18H,1-3H3
InChIKeyZIQNIAXFBNBOKM-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.32
Rot. Bonds4

About 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline

2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline (PubChem CID 43122780) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
PubChem CID43122780
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
SMILESCOc1cccc(C(C)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C16H18FNO/c1-11-7-8-15(17)16(9-11)18-12(2)13-5-4-6-14(10-13)19-3/h4-10,12,18H,1-3H3
InChIKeyZIQNIAXFBNBOKM-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[1-(3-methoxyphenyl)ethylamino]benzoic acid
CID 43728194
4-bromo-2,5-difluoro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 107609316
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 57475519
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
5-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-fluoroaniline
CID 43555248
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-methylaniline
CID 107631068
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline?
The IUPAC name of 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline (CID 43122780) is 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline?
The canonical SMILES for 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline is COc1cccc(C(C)Nc2cc(C)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline?
The InChIKey is ZIQNIAXFBNBOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-7-8-15(17)16(9-11)18-12(2)13-5-4-6-14(10-13)19-3/h4-10,12,18H,1-3H3.
What are the key properties of 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline?
2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline has a molecular weight of 259.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 43122780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).