1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine

C13H20FNO — CID 105374351

IUPAC1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-4-13(16-3)12(15)8-10-7-11(14)6-5-9(10)2/h5-7,12-13H,4,8,15H2,1-3H3
InChIKeyJJPXJCQAOYEFAM-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.43
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine

1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine (PubChem CID 105374351) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
PubChem CID105374351
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-4-13(16-3)12(15)8-10-7-11(14)6-5-9(10)2/h5-7,12-13H,4,8,15H2,1-3H3
InChIKeyJJPXJCQAOYEFAM-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-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

3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
CID 116715118
1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
CID 105374363
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
CID 106868787
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine (CID 105374351) is 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine?
The InChIKey is JJPXJCQAOYEFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-13(16-3)12(15)8-10-7-11(14)6-5-9(10)2/h5-7,12-13H,4,8,15H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine?
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine is sourced from PubChem (CID 105374351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).