N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline

C15H17FN2 — CID 83117825

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cn2)cc1C
InChIInChI=1S/C15H17FN2/c1-10-4-6-14(8-11(10)2)18-12(3)15-7-5-13(16)9-17-15/h4-9,12,18H,1-3H3
InChIKeyVGDLHSQTTANWTB-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.01
Rot. Bonds3

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline

N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline (PubChem CID 83117825) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
PubChem CID83117825
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cn2)cc1C
InChIInChI=1S/C15H17FN2/c1-10-4-6-14(8-11(10)2)18-12(3)15-7-5-13(16)9-17-15/h4-9,12,18H,1-3H3
InChIKeyVGDLHSQTTANWTB-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788261
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
1-(3,4-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79713610
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
CID 83118814
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline (CID 83117825) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline is Cc1ccc(NC(C)c2ccc(F)cn2)cc1C.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline?
The InChIKey is VGDLHSQTTANWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-4-6-14(8-11(10)2)18-12(3)15-7-5-13(16)9-17-15/h4-9,12,18H,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline has a molecular weight of 244.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline is sourced from PubChem (CID 83117825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).