2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine

C19H26N2O — CID 82452933

IUPAC2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine
SMILESCCCCOc1ccccc1-c1ccc(C(C)(C)N)c(C)n1
InChIInChI=1S/C19H26N2O/c1-5-6-13-22-18-10-8-7-9-15(18)17-12-11-16(14(2)21-17)19(3,4)20/h7-12H,5-6,13,20H2,1-4H3
InChIKeyNMYHKHZVMQLWDY-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.43
Rot. Bonds6

About 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine

2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine (PubChem CID 82452933) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine
PubChem CID82452933
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine
SMILESCCCCOc1ccccc1-c1ccc(C(C)(C)N)c(C)n1
InChIInChI=1S/C19H26N2O/c1-5-6-13-22-18-10-8-7-9-15(18)17-12-11-16(14(2)21-17)19(3,4)20/h7-12H,5-6,13,20H2,1-4H3
InChIKeyNMYHKHZVMQLWDY-UHFFFAOYSA-N
XLogP4.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]propan-2-amine
CID 82452952
[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452931
6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
CID 82452921
6-(2-ethoxyphenyl)-2-methylpyridin-3-amine
CID 82467687
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
CID 82452946
4-methyl-2-(2-octoxyphenyl)pyridine
CID 158540184
4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 15375140
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663175

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine (CID 82452933) is 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine is CCCCOc1ccccc1-c1ccc(C(C)(C)N)c(C)n1.
What is the InChIKey of 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is NMYHKHZVMQLWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-6-13-22-18-10-8-7-9-15(18)17-12-11-16(14(2)21-17)19(3,4)20/h7-12H,5-6,13,20H2,1-4H3.
What are the key properties of 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine?
2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 298.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 82452933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).