3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine

C14H13F3N2 — CID 112675991

IUPAC3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncc(F)cc2F)cc1F
InChIInChI=1S/C14H13F3N2/c1-8-3-4-10(5-12(8)16)9(2)19-14-13(17)6-11(15)7-18-14/h3-7,9H,1-2H3,(H,18,19)
InChIKeyMXJQCOKCCXRLMQ-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.98
Rot. Bonds3

About 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine

3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine (PubChem CID 112675991) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
PubChem CID112675991
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncc(F)cc2F)cc1F
InChIInChI=1S/C14H13F3N2/c1-8-3-4-10(5-12(8)16)9(2)19-14-13(17)6-11(15)7-18-14/h3-7,9H,1-2H3,(H,18,19)
InChIKeyMXJQCOKCCXRLMQ-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80926777
N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112676271
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
CID 113424172
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718989
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80852541
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine (CID 112675991) is 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine is Cc1ccc(C(C)Nc2ncc(F)cc2F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine?
The InChIKey is MXJQCOKCCXRLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-8-3-4-10(5-12(8)16)9(2)19-14-13(17)6-11(15)7-18-14/h3-7,9H,1-2H3,(H,18,19).
What are the key properties of 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine?
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine has a molecular weight of 266.27 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 112675991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).