N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine

C17H22N2O — CID 62796820

IUPACN-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2ncccc2C)cc1
InChIInChI=1S/C17H22N2O/c1-4-12-20-15-9-7-14(8-10-15)17(18-3)16-13(2)6-5-11-19-16/h5-11,17-18H,4,12H2,1-3H3
InChIKeyOLNCTBLIZKNROE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine

N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine (PubChem CID 62796820) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
PubChem CID62796820
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2ncccc2C)cc1
InChIInChI=1S/C17H22N2O/c1-4-12-20-15-9-7-14(8-10-15)17(18-3)16-13(2)6-5-11-19-16/h5-11,17-18H,4,12H2,1-3H3
InChIKeyOLNCTBLIZKNROE-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-2-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 82732624
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propylphenyl)methanamine
CID 116544148
N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 62795433
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 107560238
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 82732602
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144184
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine (CID 62796820) is N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2ncccc2C)cc1.
What is the InChIKey of N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine?
The InChIKey is OLNCTBLIZKNROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-12-20-15-9-7-14(8-10-15)17(18-3)16-13(2)6-5-11-19-16/h5-11,17-18H,4,12H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine?
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 62796820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).