1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine

C15H23F2NO — CID 55094101

IUPAC1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2NO/c1-3-8-18-13(11-19-9-4-2)10-12-6-5-7-14(16)15(12)17/h5-7,13,18H,3-4,8-11H2,1-2H3
InChIKeyDLWRCWCKGINJSC-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds9

About 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine

1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine (PubChem CID 55094101) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
PubChem CID55094101
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2NO/c1-3-8-18-13(11-19-9-4-2)10-12-6-5-7-14(16)15(12)17/h5-7,13,18H,3-4,8-11H2,1-2H3
InChIKeyDLWRCWCKGINJSC-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(4-bromo-2-fluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 62603016
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
1-(3-bromo-2,6-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 106267109
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine (CID 55094101) is 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine is CCCNC(COCCC)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine?
The InChIKey is DLWRCWCKGINJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-3-8-18-13(11-19-9-4-2)10-12-6-5-7-14(16)15(12)17/h5-7,13,18H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine?
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.30, 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)-3-propoxy-N-propylpropan-2-amine is sourced from PubChem (CID 55094101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).