6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine

C16H19F2N3 — CID 168654809

IUPAC6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1
InChIInChI=1S/C16H19F2N3/c1-10-6-13(21-15(20)7-10)3-2-12-8-11(4-5-19)9-14(17)16(12)18/h6-9H,2-5,19H2,1H3,(H2,20,21)
InChIKeyOQUWRANPJSGUGT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.54
Rot. Bonds5

About 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 168654809) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID168654809
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1
InChIInChI=1S/C16H19F2N3/c1-10-6-13(21-15(20)7-10)3-2-12-8-11(4-5-19)9-14(17)16(12)18/h6-9H,2-5,19H2,1H3,(H2,20,21)
InChIKeyOQUWRANPJSGUGT-UHFFFAOYSA-N
XLogP2.54
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Blonanserin
CID 125564
2-Amino-4,6-dimethylpyridine
CID 21507
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
ST001233
CID 610514
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
4-Methyl-6-propylpyridin-2-amine
CID 9855524
6-Isobutyl-4-methylpyridin-2-amine
CID 10197851
3,6-dimethyl-4-N-(pentan-3-yl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-diamine
CID 21912204
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
6-(2-Fluoropropyl)-4-methylpyridin-2-amine
CID 42625451
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine (CID 168654809) is 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1.
What is the InChIKey of 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is OQUWRANPJSGUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-10-6-13(21-15(20)7-10)3-2-12-8-11(4-5-19)9-14(17)16(12)18/h6-9H,2-5,19H2,1H3,(H2,20,21).
What are the key properties of 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 291.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 168654809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).