5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine

C15H17F2N3 — CID 138718380

IUPAC5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine
SMILESCCC1=CC(C=Cc2c(F)ccc(N)c2F)=CNC1N
InChIInChI=1S/C15H17F2N3/c1-2-10-7-9(8-20-15(10)19)3-4-11-12(16)5-6-13(18)14(11)17/h3-8,15,20H,2,18-19H2,1H3
InChIKeyBVNOVUYYFVDMPA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.67
Rot. Bonds3

About 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine

5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine (PubChem CID 138718380) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine
PubChem CID138718380
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine
SMILESCCC1=CC(C=Cc2c(F)ccc(N)c2F)=CNC1N
InChIInChI=1S/C15H17F2N3/c1-2-10-7-9(8-20-15(10)19)3-4-11-12(16)5-6-13(18)14(11)17/h3-8,15,20H,2,18-19H2,1H3
InChIKeyBVNOVUYYFVDMPA-UHFFFAOYSA-N
XLogP2.67
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
CID 169453360
N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine
CID 169473405
3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
ethyl 3-(2,3,6-trifluorophenyl)prop-2-enoate
CID 169480214
4-(6-amino-2,3-difluorophenyl)but-3-enal
CID 170481910
2-ethoxy-3,4-difluoroaniline
CID 22118017
ethyl 4-(6-amino-2,3-difluorophenyl)but-3-enoate
CID 170796183
tert-butyl N-[3-(6-amino-2,3-difluorophenyl)prop-2-enyl]carbamate
CID 169467550
2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
CID 62531626
2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene
CID 169475296
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
4-amino-2-ethyl-3-fluorobenzenesulfonamide
CID 174775663

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine (CID 138718380) is 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine is CCC1=CC(C=Cc2c(F)ccc(N)c2F)=CNC1N.
What is the InChIKey of 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine?
The InChIKey is BVNOVUYYFVDMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-2-10-7-9(8-20-15(10)19)3-4-11-12(16)5-6-13(18)14(11)17/h3-8,15,20H,2,18-19H2,1H3.
What are the key properties of 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine?
5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine has a molecular weight of 277.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-amino-2,6-difluorophenyl)ethenyl]-3-ethyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 138718380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).