N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine

C18H24N2 — CID 79740597

IUPACN-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2ccc(CC)cn2)c(C)c1
InChIInChI=1S/C18H24N2/c1-4-15-7-9-18(20-13-15)11-17-8-6-16(10-14(17)3)12-19-5-2/h6-10,13,19H,4-5,11-12H2,1-3H3
InChIKeyRLJUWERUSPUWRX-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.65
Rot. Bonds6

About N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine

N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine (PubChem CID 79740597) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
PubChem CID79740597
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2ccc(CC)cn2)c(C)c1
InChIInChI=1S/C18H24N2/c1-4-15-7-9-18(20-13-15)11-17-8-6-16(10-14(17)3)12-19-5-2/h6-10,13,19H,4-5,11-12H2,1-3H3
InChIKeyRLJUWERUSPUWRX-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
CID 105409110
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
CID 83129957
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid
CID 79740577
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852
3-chloro-4-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 114076462
N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine
CID 114497923
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
CID 79723425
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine (CID 79740597) is N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(Cc2ccc(CC)cn2)c(C)c1.
What is the InChIKey of N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine?
The InChIKey is RLJUWERUSPUWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-15-7-9-18(20-13-15)11-17-8-6-16(10-14(17)3)12-19-5-2/h6-10,13,19H,4-5,11-12H2,1-3H3.
What are the key properties of N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine?
N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 79740597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).