1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine

C13H19F2NO — CID 103025004

IUPAC1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-13(2,17-3)8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11H,6,8,16H2,1-3H3
InChIKeyIKGDMMHJMRMYPE-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.65
Rot. Bonds5

About 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine

1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103025004) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103025004
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-13(2,17-3)8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11H,6,8,16H2,1-3H3
InChIKeyIKGDMMHJMRMYPE-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2835262
1-(2,4-Difluorophenyl)-3-methoxypropan-2-amine
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(4-Fluorophenyl)(oxan-4-yl)methanamine
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4-[(2,4-Difluorophenyl)methyl]oxan-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine (CID 103025004) is 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is IKGDMMHJMRMYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-13(2,17-3)8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11H,6,8,16H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine?
1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103025004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).