1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine

C17H22N2O2 — CID 79263428

IUPAC1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1cccc(C)n1
InChIInChI=1S/C17H22N2O2/c1-12(18)10-14-7-5-9-16(20-3)17(14)21-11-15-8-4-6-13(2)19-15/h4-9,12H,10-11,18H2,1-3H3
InChIKeyKQKVIHLYCZFFRV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds6

About 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine

1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine (PubChem CID 79263428) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
PubChem CID79263428
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1cccc(C)n1
InChIInChI=1S/C17H22N2O2/c1-12(18)10-14-7-5-9-16(20-3)17(14)21-11-15-8-4-6-13(2)19-15/h4-9,12H,10-11,18H2,1-3H3
InChIKeyKQKVIHLYCZFFRV-UHFFFAOYSA-N
XLogP2.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 79260511
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60908019
[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267114
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine (CID 79263428) is 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCc1cccc(C)n1.
What is the InChIKey of 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
The InChIKey is KQKVIHLYCZFFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(18)10-14-7-5-9-16(20-3)17(14)21-11-15-8-4-6-13(2)19-15/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine?
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 79263428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).