[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine

C17H22N2O — CID 82452931

IUPAC[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
SMILESCCCCOc1ccccc1-c1ccc(CN)c(C)n1
InChIInChI=1S/C17H22N2O/c1-3-4-11-20-17-8-6-5-7-15(17)16-10-9-14(12-18)13(2)19-16/h5-10H,3-4,11-12,18H2,1-2H3
InChIKeyMXJHUILNLMPRPI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.69
Rot. Bonds6

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

[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine (PubChem CID 82452931) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
PubChem CID82452931
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
SMILESCCCCOc1ccccc1-c1ccc(CN)c(C)n1
InChIInChI=1S/C17H22N2O/c1-3-4-11-20-17-8-6-5-7-15(17)16-10-9-14(12-18)13(2)19-16/h5-10H,3-4,11-12,18H2,1-2H3
InChIKeyMXJHUILNLMPRPI-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.69
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-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine
CID 82452933
6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
CID 82452921
6-(2-ethoxyphenyl)-2-methylpyridin-3-amine
CID 82467687
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
CID 82452946
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
N-[[6-(2-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82452876
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
2-(2-butoxyphenyl)benzamide
CID 174985404
4-methyl-2-(2-octoxyphenyl)pyridine
CID 158540184
3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine
CID 82247731
4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 15375140

Frequently Asked Questions

What is the IUPAC name of [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine (CID 82452931) is [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine is CCCCOc1ccccc1-c1ccc(CN)c(C)n1.
What is the InChIKey of [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine?
The InChIKey is MXJHUILNLMPRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-11-20-17-8-6-5-7-15(17)16-10-9-14(12-18)13(2)19-16/h5-10H,3-4,11-12,18H2,1-2H3.
What are the key properties of [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine?
[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 82452931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).