1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

C16H25F2NO — CID 103025007

IUPAC1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1F)CC(C)(C)OC
InChIInChI=1S/C16H25F2NO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyOTGZJDYYNCBDHP-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.69
Rot. Bonds8

About 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103025007) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103025007
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1F)CC(C)(C)OC
InChIInChI=1S/C16H25F2NO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyOTGZJDYYNCBDHP-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025074
1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine
CID 64561596
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
N-ethyl-1-(2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024868
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103025007) is 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(F)cc1F)CC(C)(C)OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is OTGZJDYYNCBDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 285.38 g/mol, XLogP of 3.69, 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)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103025007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).