1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine

C14H20ClF2NO — CID 103149984

IUPAC1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1ccccc1Cl
InChIInChI=1S/C14H20ClF2NO/c1-2-8-18-13(7-9-19-10-14(16)17)11-5-3-4-6-12(11)15/h3-6,13-14,18H,2,7-10H2,1H3
InChIKeyRRLSEYKCHZDXEE-UHFFFAOYSA-N
MW291.77 g/mol
LogP4.05
Rot. Bonds9

About 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine

1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine (PubChem CID 103149984) has the molecular formula C14H20ClF2NO and a molecular weight of 291.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
PubChem CID103149984
Molecular FormulaC14H20ClF2NO
Molecular Weight291.77 g/mol
Exact Mass291.12
IUPAC Name1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1ccccc1Cl
InChIInChI=1S/C14H20ClF2NO/c1-2-8-18-13(7-9-19-10-14(16)17)11-5-3-4-6-12(11)15/h3-6,13-14,18H,2,7-10H2,1H3
InChIKeyRRLSEYKCHZDXEE-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 54.05
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-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 103150047
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
1-(5-chloro-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207998
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103150042
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine
CID 103150032
1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105141909

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine (CID 103149984) is 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine is CCCNC(CCOCC(F)F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The InChIKey is RRLSEYKCHZDXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2NO/c1-2-8-18-13(7-9-19-10-14(16)17)11-5-3-4-6-12(11)15/h3-6,13-14,18H,2,7-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine has a molecular weight of 291.77 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 103149984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).