3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine

C18H24N2 — CID 107876015

IUPAC3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
SMILESCC(C)C(CNCCc1ccncc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)18(17-6-4-3-5-7-17)14-20-13-10-16-8-11-19-12-9-16/h3-9,11-12,15,18,20H,10,13-14H2,1-2H3
InChIKeyGXPUJGTVMOODEG-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.65
Rot. Bonds7

About 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine

3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine (PubChem CID 107876015) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
PubChem CID107876015
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
SMILESCC(C)C(CNCCc1ccncc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)18(17-6-4-3-5-7-17)14-20-13-10-16-8-11-19-12-9-16/h3-9,11-12,15,18,20H,10,13-14H2,1-2H3
InChIKeyGXPUJGTVMOODEG-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
CID 107876456
N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876062
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
4-(4-methyl-1-phenylpentan-3-yl)pyridine
CID 19783307
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
2-bromo-N-(2-phenylethyl)propan-1-amine;hydrobromide
CID 21127990
2-[(2-pyridin-4-ylethylamino)methyl]butanenitrile
CID 115254073
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine?
The IUPAC name of 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine (CID 107876015) is 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine is CC(C)C(CNCCc1ccncc1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine?
The InChIKey is GXPUJGTVMOODEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(2)18(17-6-4-3-5-7-17)14-20-13-10-16-8-11-19-12-9-16/h3-9,11-12,15,18,20H,10,13-14H2,1-2H3.
What are the key properties of 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine?
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 107876015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).