N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine

C15H16F2N2 — CID 112675669

IUPACN-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
SMILESCCc1ccc(C(C)Nc2ncc(F)cc2F)cc1
InChIInChI=1S/C15H16F2N2/c1-3-11-4-6-12(7-5-11)10(2)19-15-14(17)8-13(16)9-18-15/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyYINHVSVCMADMDQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.10
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine

N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine (PubChem CID 112675669) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
PubChem CID112675669
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
SMILESCCc1ccc(C(C)Nc2ncc(F)cc2F)cc1
InChIInChI=1S/C15H16F2N2/c1-3-11-4-6-12(7-5-11)10(2)19-15-14(17)8-13(16)9-18-15/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyYINHVSVCMADMDQ-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231403
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342777
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine (CID 112675669) is N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine is CCc1ccc(C(C)Nc2ncc(F)cc2F)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine?
The InChIKey is YINHVSVCMADMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-3-11-4-6-12(7-5-11)10(2)19-15-14(17)8-13(16)9-18-15/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine?
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine has a molecular weight of 262.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112675669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).