1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine

C18H24N2 — CID 173272882

IUPAC1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
SMILESCCCCc1ccc(CN(C)Cc2cccnc2)cc1
InChIInChI=1S/C18H24N2/c1-3-4-6-16-8-10-17(11-9-16)14-20(2)15-18-7-5-12-19-13-18/h5,7-13H,3-4,6,14-15H2,1-2H3
InChIKeyWFTIEMDHFGYQEU-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.06
Rot. Bonds7

About 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine

1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 173272882) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
PubChem CID173272882
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
SMILESCCCCc1ccc(CN(C)Cc2cccnc2)cc1
InChIInChI=1S/C18H24N2/c1-3-4-6-16-8-10-17(11-9-16)14-20(2)15-18-7-5-12-19-13-18/h5,7-13H,3-4,6,14-15H2,1-2H3
InChIKeyWFTIEMDHFGYQEU-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 171910025
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
3-(4-butylphenyl)-1-cyclopropyl-1-(pyridin-3-ylmethyl)thiourea
CID 3499809
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine (CID 173272882) is 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine is CCCCc1ccc(CN(C)Cc2cccnc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is WFTIEMDHFGYQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-4-6-16-8-10-17(11-9-16)14-20(2)15-18-7-5-12-19-13-18/h5,7-13H,3-4,6,14-15H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine?
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 268.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 173272882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).