6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine

C14H16ClN3O — CID 107845206

IUPAC6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
SMILESCOc1cccc(CCNc2nc(Cl)ccc2N)c1
InChIInChI=1S/C14H16ClN3O/c1-19-11-4-2-3-10(9-11)7-8-17-14-12(16)5-6-13(15)18-14/h2-6,9H,7-8,16H2,1H3,(H,17,18)
InChIKeyHPLHTKHOQUKBEJ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.98
Rot. Bonds5

About 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine

6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine (PubChem CID 107845206) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
PubChem CID107845206
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
SMILESCOc1cccc(CCNc2nc(Cl)ccc2N)c1
InChIInChI=1S/C14H16ClN3O/c1-19-11-4-2-3-10(9-11)7-8-17-14-12(16)5-6-13(15)18-14/h2-6,9H,7-8,16H2,1H3,(H,17,18)
InChIKeyHPLHTKHOQUKBEJ-UHFFFAOYSA-N
XLogP2.98
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 107844867
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107845304
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine (CID 107845206) is 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine is COc1cccc(CCNc2nc(Cl)ccc2N)c1.
What is the InChIKey of 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine?
The InChIKey is HPLHTKHOQUKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-11-4-2-3-10(9-11)7-8-17-14-12(16)5-6-13(15)18-14/h2-6,9H,7-8,16H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine?
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine has a molecular weight of 277.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 107845206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).