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

C14H14FNO — CID 171906263

IUPAC3-fluoro-4-(3-methoxyphenyl)-2-methylaniline
SMILESCOc1cccc(-c2ccc(N)c(C)c2F)c1
InChIInChI=1S/C14H14FNO/c1-9-13(16)7-6-12(14(9)15)10-4-3-5-11(8-10)17-2/h3-8H,16H2,1-2H3
InChIKeyMVZFQTXTWZBMMV-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds2

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

3-fluoro-4-(3-methoxyphenyl)-2-methylaniline (PubChem CID 171906263) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline.

Molecular Properties

Compound Name3-fluoro-4-(3-methoxyphenyl)-2-methylaniline
PubChem CID171906263
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-fluoro-4-(3-methoxyphenyl)-2-methylaniline
SMILESCOc1cccc(-c2ccc(N)c(C)c2F)c1
InChIInChI=1S/C14H14FNO/c1-9-13(16)7-6-12(14(9)15)10-4-3-5-11(8-10)17-2/h3-8H,16H2,1-2H3
InChIKeyMVZFQTXTWZBMMV-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

2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
CID 68764353
3-chloro-4-fluoro-5-(3-methoxyphenyl)aniline
CID 165495622
2,3-difluoro-5-(3-methoxyphenyl)aniline
CID 165495342
4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 156613139
5-amino-2-(3-methoxyphenyl)phenol
CID 12067776
5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
CID 22023330
4-amino-2-fluoro-5-(3-methoxyphenyl)benzonitrile
CID 168654720
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
5-(3-methoxyphenyl)pyridine-3,4-diamine
CID 126520592
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline?
The IUPAC name of 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline (CID 171906263) is 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline.
What is the SMILES notation for 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline?
The canonical SMILES for 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline is COc1cccc(-c2ccc(N)c(C)c2F)c1.
What is the InChIKey of 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline?
The InChIKey is MVZFQTXTWZBMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-13(16)7-6-12(14(9)15)10-4-3-5-11(8-10)17-2/h3-8H,16H2,1-2H3.
What are the key properties of 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline?
3-fluoro-4-(3-methoxyphenyl)-2-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 3-fluoro-4-(3-methoxyphenyl)-2-methylaniline is sourced from PubChem (CID 171906263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).