N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine

C16H21N3O — CID 83121943

IUPACN-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)c2ccc(OC)cc2)cn1
InChIInChI=1S/C16H21N3O/c1-12(17-2)16-10-7-14(11-18-16)19(3)13-5-8-15(20-4)9-6-13/h5-12,17H,1-4H3
InChIKeyJEILRUUPUJHRRM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.14
Rot. Bonds5

About N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine

N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine (PubChem CID 83121943) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
PubChem CID83121943
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)c2ccc(OC)cc2)cn1
InChIInChI=1S/C16H21N3O/c1-12(17-2)16-10-7-14(11-18-16)19(3)13-5-8-15(20-4)9-6-13/h5-12,17H,1-4H3
InChIKeyJEILRUUPUJHRRM-UHFFFAOYSA-N
XLogP3.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine (CID 83121943) is N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine is CNC(C)c1ccc(N(C)c2ccc(OC)cc2)cn1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
The InChIKey is JEILRUUPUJHRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(17-2)16-10-7-14(11-18-16)19(3)13-5-8-15(20-4)9-6-13/h5-12,17H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine?
N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine has a molecular weight of 271.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 83121943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).