2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline

C16H18FNO2 — CID 82538755

IUPAC2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H18FNO2/c1-19-13-5-3-12(4-6-13)9-10-18-16-8-7-14(20-2)11-15(16)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyOOBZJPDPIZDHFI-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.50
Rot. Bonds6

About 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline

2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 82538755) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
PubChem CID82538755
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCNc2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H18FNO2/c1-19-13-5-3-12(4-6-13)9-10-18-16-8-7-14(20-2)11-15(16)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyOOBZJPDPIZDHFI-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65468405
1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 43343022
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
1-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 82539782
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
2-[2-(4-fluorophenyl)ethylamino]-4-methoxybenzenecarbothioamide
CID 81297627
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline (CID 82538755) is 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline is COc1ccc(CCNc2ccc(OC)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is OOBZJPDPIZDHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-13-5-3-12(4-6-13)9-10-18-16-8-7-14(20-2)11-15(16)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 275.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 82538755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).