N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine

C19H26N2 — CID 43496227

IUPACN-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H26N2/c1-6-9-21-19(17-7-10-20-11-8-17)18-15(4)13(2)12-14(3)16(18)5/h7-8,10-12,19,21H,6,9H2,1-5H3
InChIKeyZMERRJBQYQXQGY-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.40
Rot. Bonds5

About N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine

N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine (PubChem CID 43496227) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
PubChem CID43496227
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H26N2/c1-6-9-21-19(17-7-10-20-11-8-17)18-15(4)13(2)12-14(3)16(18)5/h7-8,10-12,19,21H,6,9H2,1-5H3
InChIKeyZMERRJBQYQXQGY-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[(5-bromothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 107960818
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 63797565
N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497750
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine (CID 43496227) is N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine is CCCNC(c1ccncc1)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The InChIKey is ZMERRJBQYQXQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-6-9-21-19(17-7-10-20-11-8-17)18-15(4)13(2)12-14(3)16(18)5/h7-8,10-12,19,21H,6,9H2,1-5H3.
What are the key properties of N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).