1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine

C14H21F2NO — CID 64559477

IUPAC1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
SMILESCCNC(CCCOC)Cc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO/c1-3-17-13(5-4-8-18-2)9-11-6-7-12(15)10-14(11)16/h6-7,10,13,17H,3-5,8-9H2,1-2H3
InChIKeyXSKITRBHJNEPJT-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.91
Rot. Bonds8

About 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine

1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine (PubChem CID 64559477) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
PubChem CID64559477
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
SMILESCCNC(CCCOC)Cc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO/c1-3-17-13(5-4-8-18-2)9-11-6-7-12(15)10-14(11)16/h6-7,10,13,17H,3-5,8-9H2,1-2H3
InChIKeyXSKITRBHJNEPJT-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
N-ethyl-1-(4-ethylphenyl)-5-methoxypentan-2-amine
CID 65091874
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 114855390
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine (CID 64559477) is 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine is CCNC(CCCOC)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine?
The InChIKey is XSKITRBHJNEPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-17-13(5-4-8-18-2)9-11-6-7-12(15)10-14(11)16/h6-7,10,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine?
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine is sourced from PubChem (CID 64559477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).