3-fluoro-4-(4-methoxy-3-methylphenyl)aniline

C14H14FNO — CID 65436397

IUPAC3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
SMILESCOc1ccc(-c2ccc(N)cc2F)cc1C
InChIInChI=1S/C14H14FNO/c1-9-7-10(3-6-14(9)17-2)12-5-4-11(16)8-13(12)15/h3-8H,16H2,1-2H3
InChIKeyVYDZXECXZJZKEK-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds2

About 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline

3-fluoro-4-(4-methoxy-3-methylphenyl)aniline (PubChem CID 65436397) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
PubChem CID65436397
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
SMILESCOc1ccc(-c2ccc(N)cc2F)cc1C
InChIInChI=1S/C14H14FNO/c1-9-7-10(3-6-14(9)17-2)12-5-4-11(16)8-13(12)15/h3-8H,16H2,1-2H3
InChIKeyVYDZXECXZJZKEK-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

3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
4-(4-chloro-3-methoxyphenyl)-3-fluoroaniline
CID 79711769
3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
CID 67654311
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline?
The IUPAC name of 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline (CID 65436397) is 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline.
What is the SMILES notation for 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline?
The canonical SMILES for 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline is COc1ccc(-c2ccc(N)cc2F)cc1C.
What is the InChIKey of 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline?
The InChIKey is VYDZXECXZJZKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-7-10(3-6-14(9)17-2)12-5-4-11(16)8-13(12)15/h3-8H,16H2,1-2H3.
What are the key properties of 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline?
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline 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 3-fluoro-4-(4-methoxy-3-methylphenyl)aniline is sourced from PubChem (CID 65436397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).