N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine

C18H24N2 — CID 60913402

IUPACN-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2cccnc2)cc1C
InChIInChI=1S/C18H24N2/c1-13-10-15(3)18(11-14(13)2)16(4)20-9-7-17-6-5-8-19-12-17/h5-6,8,10-12,16,20H,7,9H2,1-4H3
InChIKeyDWPJURIELAJMGA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.90
Rot. Bonds5

About N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine

N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 60913402) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID60913402
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2cccnc2)cc1C
InChIInChI=1S/C18H24N2/c1-13-10-15(3)18(11-14(13)2)16(4)20-9-7-17-6-5-8-19-12-17/h5-6,8,10-12,16,20H,7,9H2,1-4H3
InChIKeyDWPJURIELAJMGA-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913070
1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60971301
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
N-[2-(2-fluorophenyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43097346
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896071

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 60913402) is N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCCc2cccnc2)cc1C.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is DWPJURIELAJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-10-15(3)18(11-14(13)2)16(4)20-9-7-17-6-5-8-19-12-17/h5-6,8,10-12,16,20H,7,9H2,1-4H3.
What are the key properties of N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 60913402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).