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

C18H24N2 — CID 64989997

IUPACN-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H24N2/c1-5-8-20-18(16-6-9-19-10-7-16)17-12-14(3)13(2)11-15(17)4/h6-7,9-12,18,20H,5,8H2,1-4H3
InChIKeySQASQGMVGQQYKI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.10
Rot. Bonds5

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

N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine (PubChem CID 64989997) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
PubChem CID64989997
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H24N2/c1-5-8-20-18(16-6-9-19-10-7-16)17-12-14(3)13(2)11-15(17)4/h6-7,9-12,18,20H,5,8H2,1-4H3
InChIKeySQASQGMVGQQYKI-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 43496227
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105196567
N-[(3-bromophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64990200
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497750
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine (CID 64989997) is N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccncc1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is SQASQGMVGQQYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-8-20-18(16-6-9-19-10-7-16)17-12-14(3)13(2)11-15(17)4/h6-7,9-12,18,20H,5,8H2,1-4H3.
What are the key properties of N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.10, 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-(2,4,5-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 64989997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).