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

C15H23F2NO — CID 116716158

IUPAC1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(CC)OC
InChIInChI=1S/C15H23F2NO/c1-4-9-18-13(14(5-2)19-3)10-11-7-6-8-12(16)15(11)17/h6-8,13-14,18H,4-5,9-10H2,1-3H3
InChIKeyKFTNJQMYQPIVGD-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds8

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

1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 116716158) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID116716158
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(CC)OC
InChIInChI=1S/C15H23F2NO/c1-4-9-18-13(14(5-2)19-3)10-11-7-6-8-12(16)15(11)17/h6-8,13-14,18H,4-5,9-10H2,1-3H3
InChIKeyKFTNJQMYQPIVGD-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 106268490
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
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-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine (CID 116716158) is 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1cccc(F)c1F)C(CC)OC.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is KFTNJQMYQPIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-9-18-13(14(5-2)19-3)10-11-7-6-8-12(16)15(11)17/h6-8,13-14,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 116716158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).