N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine

C16H21N3O3 — CID 20781185

IUPACN'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
SMILESCOc1cc(-c2ccc(NCCN)cn2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O3/c1-20-14-8-11(9-15(21-2)16(14)22-3)13-5-4-12(10-19-13)18-7-6-17/h4-5,8-10,18H,6-7,17H2,1-3H3
InChIKeyLYAQILISLZYHRT-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.14
Rot. Bonds7

About N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine

N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine (PubChem CID 20781185) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
PubChem CID20781185
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
SMILESCOc1cc(-c2ccc(NCCN)cn2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O3/c1-20-14-8-11(9-15(21-2)16(14)22-3)13-5-4-12(10-19-13)18-7-6-17/h4-5,8-10,18H,6-7,17H2,1-3H3
InChIKeyLYAQILISLZYHRT-UHFFFAOYSA-N
XLogP2.14
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 103278941
N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine
CID 22485487
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 10234367
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
6-[3,5-dimethoxy-4-(2,2,2-trifluoroethoxy)phenyl]pyridin-3-amine
CID 22485528
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine;methanesulfonic acid
CID 10234366

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine (CID 20781185) is N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine is COc1cc(-c2ccc(NCCN)cn2)cc(OC)c1OC.
What is the InChIKey of N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
The InChIKey is LYAQILISLZYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-20-14-8-11(9-15(21-2)16(14)22-3)13-5-4-12(10-19-13)18-7-6-17/h4-5,8-10,18H,6-7,17H2,1-3H3.
What are the key properties of N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine?
N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine has a molecular weight of 303.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 20781185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).