1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine

C16H25F2NO — CID 105044273

IUPAC1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(C)CCOC
InChIInChI=1S/C16H25F2NO/c1-4-9-19-15(12(2)8-10-20-3)11-13-6-5-7-14(17)16(13)18/h5-7,12,15,19H,4,8-11H2,1-3H3
InChIKeyAFDUQPMVQKRBKI-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.55
Rot. Bonds9

About 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine

1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine (PubChem CID 105044273) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
PubChem CID105044273
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(C)CCOC
InChIInChI=1S/C16H25F2NO/c1-4-9-19-15(12(2)8-10-20-3)11-13-6-5-7-14(17)16(13)18/h5-7,12,15,19H,4,8-11H2,1-3H3
InChIKeyAFDUQPMVQKRBKI-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 64718771
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine (CID 105044273) is 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1cccc(F)c1F)C(C)CCOC.
What is the InChIKey of 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine?
The InChIKey is AFDUQPMVQKRBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-4-9-19-15(12(2)8-10-20-3)11-13-6-5-7-14(17)16(13)18/h5-7,12,15,19H,4,8-11H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine?
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine has a molecular weight of 285.38 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 105044273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).