1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine

C18H24N2 — CID 43204866

IUPAC1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCc2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-3-4-5-16-6-8-18(9-7-16)15(2)20-14-17-10-12-19-13-11-17/h6-13,15,20H,3-5,14H2,1-2H3
InChIKeyXYXBYVKIDIUPEY-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.28
Rot. Bonds7

About 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine

1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 43204866) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID43204866
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCc2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-3-4-5-16-6-8-18(9-7-16)15(2)20-14-17-10-12-19-13-11-17/h6-13,15,20H,3-5,14H2,1-2H3
InChIKeyXYXBYVKIDIUPEY-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61351168
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
CID 110009844

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 43204866) is 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine is CCCCc1ccc(C(C)NCc2ccncc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is XYXBYVKIDIUPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-4-5-16-6-8-18(9-7-16)15(2)20-14-17-10-12-19-13-11-17/h6-13,15,20H,3-5,14H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 43204866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).