N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine

C16H17ClF2N2 — CID 103444893

IUPACN-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1F)c1ncccc1Cl
InChIInChI=1S/C16H17ClF2N2/c1-2-8-20-14(16-12(17)6-4-9-21-16)10-11-5-3-7-13(18)15(11)19/h3-7,9,14,20H,2,8,10H2,1H3
InChIKeyVWRSOUYPIZTBBQ-UHFFFAOYSA-N
MW310.77 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine

N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine (PubChem CID 103444893) has the molecular formula C16H17ClF2N2 and a molecular weight of 310.77 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
PubChem CID103444893
Molecular FormulaC16H17ClF2N2
Molecular Weight310.77 g/mol
Exact Mass310.10
IUPAC NameN-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1F)c1ncccc1Cl
InChIInChI=1S/C16H17ClF2N2/c1-2-8-20-14(16-12(17)6-4-9-21-16)10-11-5-3-7-13(18)15(11)19/h3-7,9,14,20H,2,8,10H2,1H3
InChIKeyVWRSOUYPIZTBBQ-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 79517746
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine (CID 103444893) is N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1F)c1ncccc1Cl.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is VWRSOUYPIZTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2/c1-2-8-20-14(16-12(17)6-4-9-21-16)10-11-5-3-7-13(18)15(11)19/h3-7,9,14,20H,2,8,10H2,1H3.
What are the key properties of N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 310.77 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103444893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).