2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine

C11H16FNO — CID 84774491

IUPAC2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(F)cc1C
InChIInChI=1S/C11H16FNO/c1-7-5-9(12)8(11(2,3)13)6-10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyILLRYXRUPBVFCZ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.34
Rot. Bonds2

About 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine

2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine (PubChem CID 84774491) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
PubChem CID84774491
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(F)cc1C
InChIInChI=1S/C11H16FNO/c1-7-5-9(12)8(11(2,3)13)6-10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyILLRYXRUPBVFCZ-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 116839392
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
CID 116839527
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 79830501

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine?
The IUPAC name of 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine (CID 84774491) is 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine is COc1cc(C(C)(C)N)c(F)cc1C.
What is the InChIKey of 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine?
The InChIKey is ILLRYXRUPBVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-5-9(12)8(11(2,3)13)6-10(7)14-4/h5-6H,13H2,1-4H3.
What are the key properties of 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine?
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 84774491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).