N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

C16H17Cl2FN2 — CID 79783884

IUPACN-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2FN2/c1-2-7-20-15(8-11-3-5-13(19)6-4-11)16-14(18)9-12(17)10-21-16/h3-6,9-10,15,20H,2,7-8H2,1H3
InChIKeyVMXDWJRINMJTJM-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.81
Rot. Bonds6

About N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 79783884) has the molecular formula C16H17Cl2FN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID79783884
Molecular FormulaC16H17Cl2FN2
Molecular Weight327.23 g/mol
Exact Mass326.08
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2FN2/c1-2-7-20-15(8-11-3-5-13(19)6-4-11)16-14(18)9-12(17)10-21-16/h3-6,9-10,15,20H,2,7-8H2,1H3
InChIKeyVMXDWJRINMJTJM-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
[1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105248583
N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
CID 79779913
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517384
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182758

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (CID 79783884) is N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is VMXDWJRINMJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN2/c1-2-7-20-15(8-11-3-5-13(19)6-4-11)16-14(18)9-12(17)10-21-16/h3-6,9-10,15,20H,2,7-8H2,1H3.
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 327.23 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79783884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).