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

C15H23F2NO — CID 105406993

IUPAC1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C(CC)OC
InChIInChI=1S/C15H23F2NO/c1-4-6-18-14(15(5-2)19-3)9-11-7-12(16)10-13(17)8-11/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyFHRLEYILMIAYMI-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds8

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

1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 105406993) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID105406993
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C(CC)OC
InChIInChI=1S/C15H23F2NO/c1-4-6-18-14(15(5-2)19-3)9-11-7-12(16)10-13(17)8-11/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyFHRLEYILMIAYMI-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

Analyze 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
CID 105407006
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
1-(furan-3-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715979
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 106268490
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
CID 105406994
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182
1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine (CID 105406993) is 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1cc(F)cc(F)c1)C(CC)OC.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is FHRLEYILMIAYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-6-18-14(15(5-2)19-3)9-11-7-12(16)10-13(17)8-11/h7-8,10,14-15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
1-(3,5-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-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 105406993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).