N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine

C18H24N2 — CID 43491200

IUPACN-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCCCc1ccc(C(NCC)c2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-3-5-6-15-7-9-16(10-8-15)18(20-4-2)17-11-13-19-14-12-17/h7-14,18,20H,3-6H2,1-2H3
InChIKeySKXBETABOPTISQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.12
Rot. Bonds7

About N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine

N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine (PubChem CID 43491200) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
PubChem CID43491200
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCCCc1ccc(C(NCC)c2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-3-5-6-15-7-9-16(10-8-15)18(20-4-2)17-11-13-19-14-12-17/h7-14,18,20H,3-6H2,1-2H3
InChIKeySKXBETABOPTISQ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(5-bromo-4-methylthiophen-2-yl)-(4-butylphenyl)methyl]ethanamine
CID 79977205
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine (CID 43491200) is N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine is CCCCc1ccc(C(NCC)c2ccncc2)cc1.
What is the InChIKey of N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine?
The InChIKey is SKXBETABOPTISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-5-6-15-7-9-16(10-8-15)18(20-4-2)17-11-13-19-14-12-17/h7-14,18,20H,3-6H2,1-2H3.
What are the key properties of N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine?
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 43491200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).