N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine

C18H24N2 — CID 105137056

IUPACN-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cncc(C)c1
InChIInChI=1S/C18H24N2/c1-13(2)16-7-5-15(6-8-16)10-18(19-4)17-9-14(3)11-20-12-17/h5-9,11-13,18-19H,10H2,1-4H3
InChIKeyQULICJAZWLOGIX-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.02
Rot. Bonds5

About N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine

N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 105137056) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID105137056
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cncc(C)c1
InChIInChI=1S/C18H24N2/c1-13(2)16-7-5-15(6-8-16)10-18(19-4)17-9-14(3)11-20-12-17/h5-9,11-13,18-19H,10H2,1-4H3
InChIKeyQULICJAZWLOGIX-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105101832
2-(3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374488
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
N-methyl-1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413558
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
N-methyl-1-(4-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63840960
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 105137056) is N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1cncc(C)c1.
What is the InChIKey of N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is QULICJAZWLOGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)16-7-5-15(6-8-16)10-18(19-4)17-9-14(3)11-20-12-17/h5-9,11-13,18-19H,10H2,1-4H3.
What are the key properties of N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 105137056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).