1-(2,5-difluorophenyl)-5-methoxypentan-2-amine

C12H17F2NO — CID 65092447

IUPAC1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-16-6-2-3-11(15)8-9-7-10(13)4-5-12(9)14/h4-5,7,11H,2-3,6,8,15H2,1H3
InChIKeyUYVMRMGFEMHBBU-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.26
Rot. Bonds6

About 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine

1-(2,5-difluorophenyl)-5-methoxypentan-2-amine (PubChem CID 65092447) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
PubChem CID65092447
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-16-6-2-3-11(15)8-9-7-10(13)4-5-12(9)14/h4-5,7,11H,2-3,6,8,15H2,1H3
InChIKeyUYVMRMGFEMHBBU-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,5-difluorophenyl)-5-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

4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
CID 62319637
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928014
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
[1-(5-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 103053586
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
ethyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 59009740
[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
CID 105377808
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine (CID 65092447) is 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine is COCCCC(N)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine?
The InChIKey is UYVMRMGFEMHBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-16-6-2-3-11(15)8-9-7-10(13)4-5-12(9)14/h4-5,7,11H,2-3,6,8,15H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine?
1-(2,5-difluorophenyl)-5-methoxypentan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-5-methoxypentan-2-amine is sourced from PubChem (CID 65092447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).