2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine

C14H16FN3O — CID 107258603

IUPAC2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
SMILESCOc1cc(NCCc2ccccn2)c(F)cc1N
InChIInChI=1S/C14H16FN3O/c1-19-14-9-13(11(15)8-12(14)16)18-7-5-10-4-2-3-6-17-10/h2-4,6,8-9,18H,5,7,16H2,1H3
InChIKeyALOBFVITNGTXQR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.47
Rot. Bonds5

About 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine (PubChem CID 107258603) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
PubChem CID107258603
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
SMILESCOc1cc(NCCc2ccccn2)c(F)cc1N
InChIInChI=1S/C14H16FN3O/c1-19-14-9-13(11(15)8-12(14)16)18-7-5-10-4-2-3-6-17-10/h2-4,6,8-9,18H,5,7,16H2,1H3
InChIKeyALOBFVITNGTXQR-UHFFFAOYSA-N
XLogP2.47
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
2-fluoro-1-N-[3-(1H-imidazol-2-yl)propyl]-5-methoxybenzene-1,4-diamine
CID 107259623
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 61076812
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
4-fluoro-5-methoxy-1-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 63597655

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine (CID 107258603) is 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine is COc1cc(NCCc2ccccn2)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
The InChIKey is ALOBFVITNGTXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-19-14-9-13(11(15)8-12(14)16)18-7-5-10-4-2-3-6-17-10/h2-4,6,8-9,18H,5,7,16H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine has a molecular weight of 261.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 107258603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).