1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine

C15H23F2NO — CID 105143692

IUPAC1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1ccc(F)cc1F
InChIInChI=1S/C15H23F2NO/c1-4-7-18-15(8-11(2)10-19-3)13-6-5-12(16)9-14(13)17/h5-6,9,11,15,18H,4,7-8,10H2,1-3H3
InChIKeyGYRZWGPMYJRHDN-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.68
Rot. Bonds8

About 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine

1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 105143692) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID105143692
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1ccc(F)cc1F
InChIInChI=1S/C15H23F2NO/c1-4-7-18-15(8-11(2)10-19-3)13-6-5-12(16)9-14(13)17/h5-6,9,11,15,18H,4,7-8,10H2,1-3H3
InChIKeyGYRZWGPMYJRHDN-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539902
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine (CID 105143692) is 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)COC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is GYRZWGPMYJRHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-7-18-15(8-11(2)10-19-3)13-6-5-12(16)9-14(13)17/h5-6,9,11,15,18H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.68, 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-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105143692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).