N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine

C17H22N2O2 — CID 116810952

IUPACN-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-18-10-13-9-14(12-19-11-13)17-15(20-2)6-5-7-16(17)21-3/h5-7,9,11-12,18H,4,8,10H2,1-3H3
InChIKeyMNILUWYUCOASFM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.27
Rot. Bonds7

About N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine

N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 116810952) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID116810952
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-18-10-13-9-14(12-19-11-13)17-15(20-2)6-5-7-16(17)21-3/h5-7,9,11-12,18H,4,8,10H2,1-3H3
InChIKeyMNILUWYUCOASFM-UHFFFAOYSA-N
XLogP3.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 113469694
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
N-[[5-(4-bromo-3-chloro-2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 106763291
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 103864362
N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 82811010
N-[[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639530
5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 46033058
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[[3-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350076

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine (CID 116810952) is N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cncc(-c2c(OC)cccc2OC)c1.
What is the InChIKey of N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is MNILUWYUCOASFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-8-18-10-13-9-14(12-19-11-13)17-15(20-2)6-5-7-16(17)21-3/h5-7,9,11-12,18H,4,8,10H2,1-3H3.
What are the key properties of N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 116810952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).