1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine

C13H19F2NO — CID 105141977

IUPAC1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-5-17-6-4-13(16-2)10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3
InChIKeyYUYCYJBTWZCZEN-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.04
Rot. Bonds7

About 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine

1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine (PubChem CID 105141977) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
PubChem CID105141977
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-5-17-6-4-13(16-2)10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3
InChIKeyYUYCYJBTWZCZEN-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.04
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-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine
CID 105181877
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine
CID 105325359
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
1-(3,5-difluorophenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 65135295
1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105141947

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine (CID 105141977) is 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine is CCCOCCC(NC)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine?
The InChIKey is YUYCYJBTWZCZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-5-17-6-4-13(16-2)10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine?
1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105141977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).