(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C17H22N2O2 — CID 105027423

IUPAC(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1cc(C(N)c2cncc(OC(C)C)c2)ccc1C
InChIInChI=1S/C17H22N2O2/c1-11(2)21-15-7-14(9-19-10-15)17(18)13-6-5-12(3)16(8-13)20-4/h5-11,17H,18H2,1-4H3
InChIKeySGNJAGQPZZJVLY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.23
Rot. Bonds5

About (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027423) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027423
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1cc(C(N)c2cncc(OC(C)C)c2)ccc1C
InChIInChI=1S/C17H22N2O2/c1-11(2)21-15-7-14(9-19-10-15)17(18)13-6-5-12(3)16(8-13)20-4/h5-11,17H,18H2,1-4H3
InChIKeySGNJAGQPZZJVLY-UHFFFAOYSA-N
XLogP3.23
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
[(3,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330468
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027423) is (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is COc1cc(C(N)c2cncc(OC(C)C)c2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is SGNJAGQPZZJVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)21-15-7-14(9-19-10-15)17(18)13-6-5-12(3)16(8-13)20-4/h5-11,17H,18H2,1-4H3.
What are the key properties of (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).