1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine

C17H20ClFN2 — CID 103039837

IUPAC1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccn1
InChIInChI=1S/C17H20ClFN2/c1-2-8-20-15(12-14-5-3-4-9-21-14)10-13-6-7-17(19)16(18)11-13/h3-7,9,11,15,20H,2,8,10,12H2,1H3
InChIKeyMUWAFDUWBUYIBT-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.03
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine

1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine (PubChem CID 103039837) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
PubChem CID103039837
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccn1
InChIInChI=1S/C17H20ClFN2/c1-2-8-20-15(12-14-5-3-4-9-21-14)10-13-6-7-17(19)16(18)11-13/h3-7,9,11,15,20H,2,8,10,12H2,1H3
InChIKeyMUWAFDUWBUYIBT-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214
N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 107989076
1-(4-chloro-3-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 107884650
1-(2-methylphenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 60818337
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
1-(3-chloro-4-fluorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216598
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
4-methyl-N-propyl-1-pyridin-2-ylhexan-2-amine
CID 62600384
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
1-(3-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 54919483
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 103039913

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine (CID 103039837) is 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine is CCCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
The InChIKey is MUWAFDUWBUYIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-2-8-20-15(12-14-5-3-4-9-21-14)10-13-6-7-17(19)16(18)11-13/h3-7,9,11,15,20H,2,8,10,12H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine?
1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine has a molecular weight of 306.81 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 103039837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).