1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine

C16H20N2 — CID 62549906

IUPAC1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1cc(C)ccc1C
InChIInChI=1S/C16H20N2/c1-12-6-7-13(2)15(9-12)16(17-3)10-14-5-4-8-18-11-14/h4-9,11,16-17H,10H2,1-3H3
InChIKeyKCZDKLIWYSLTJL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine

1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 62549906) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
PubChem CID62549906
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1cc(C)ccc1C
InChIInChI=1S/C16H20N2/c1-12-6-7-13(2)15(9-12)16(17-3)10-14-5-4-8-18-11-14/h4-9,11,16-17H,10H2,1-3H3
InChIKeyKCZDKLIWYSLTJL-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034593
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 107513287
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
1-(4-methoxy-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 65313099
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
CID 65104741
[1-(2-bromo-4-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333676
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine (CID 62549906) is 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine is CNC(Cc1cccnc1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is KCZDKLIWYSLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-6-7-13(2)15(9-12)16(17-3)10-14-5-4-8-18-11-14/h4-9,11,16-17H,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 62549906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).