N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine

C18H24N2 — CID 43490300

IUPACN-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C(C)CC)cc1)c1cccnc1
InChIInChI=1S/C18H24N2/c1-4-14(3)15-8-10-16(11-9-15)18(20-5-2)17-7-6-12-19-13-17/h6-14,18,20H,4-5H2,1-3H3
InChIKeyHWEAAWLWGSGIGO-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.29
Rot. Bonds6

About N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine

N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 43490300) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID43490300
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C(C)CC)cc1)c1cccnc1
InChIInChI=1S/C18H24N2/c1-4-14(3)15-8-10-16(11-9-15)18(20-5-2)17-7-6-12-19-13-17/h6-14,18,20H,4-5H2,1-3H3
InChIKeyHWEAAWLWGSGIGO-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(3-chloro-4-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 63087157
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-yl)methyl]ethanamine
CID 43490467
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
CID 79780969
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693011

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine (CID 43490300) is N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1ccc(C(C)CC)cc1)c1cccnc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is HWEAAWLWGSGIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-14(3)15-8-10-16(11-9-15)18(20-5-2)17-7-6-12-19-13-17/h6-14,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine?
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 43490300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).