4-(5-fluoro-2-methoxyphenyl)-3-methylaniline

C14H14FNO — CID 54912636

IUPAC4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
SMILESCOc1ccc(F)cc1-c1ccc(N)cc1C
InChIInChI=1S/C14H14FNO/c1-9-7-11(16)4-5-12(9)13-8-10(15)3-6-14(13)17-2/h3-8H,16H2,1-2H3
InChIKeyHNMCDGHDKVVJCQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline

4-(5-fluoro-2-methoxyphenyl)-3-methylaniline (PubChem CID 54912636) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
PubChem CID54912636
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
SMILESCOc1ccc(F)cc1-c1ccc(N)cc1C
InChIInChI=1S/C14H14FNO/c1-9-7-11(16)4-5-12(9)13-8-10(15)3-6-14(13)17-2/h3-8H,16H2,1-2H3
InChIKeyHNMCDGHDKVVJCQ-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.39
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-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
CID 103434076
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
3-(4-fluoro-2-methylanilino)sulfanyl-4-methoxyaniline
CID 156859653

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline (CID 54912636) is 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline is COc1ccc(F)cc1-c1ccc(N)cc1C.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline?
The InChIKey is HNMCDGHDKVVJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-7-11(16)4-5-12(9)13-8-10(15)3-6-14(13)17-2/h3-8H,16H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline?
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-3-methylaniline is sourced from PubChem (CID 54912636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).