N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine

C17H22N2O — CID 105407428

IUPACN-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1Oc1cccnc1C
InChIInChI=1S/C17H22N2O/c1-12(2)19-11-15-8-7-13(3)17(10-15)20-16-6-5-9-18-14(16)4/h5-10,12,19H,11H2,1-4H3
InChIKeyJJGGUXZZXBQAAV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.99
Rot. Bonds5

About N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine

N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine (PubChem CID 105407428) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
PubChem CID105407428
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1Oc1cccnc1C
InChIInChI=1S/C17H22N2O/c1-12(2)19-11-15-8-7-13(3)17(10-15)20-16-6-5-9-18-14(16)4/h5-10,12,19H,11H2,1-4H3
InChIKeyJJGGUXZZXBQAAV-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 105407433
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406547
N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407067
N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 114928898
N-[[2-[(2-methyl-3-pyridinyl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 113378081
N-[[3-(3-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407504
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102986333
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107659648

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine (CID 105407428) is N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1Oc1cccnc1C.
What is the InChIKey of N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine?
The InChIKey is JJGGUXZZXBQAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)19-11-15-8-7-13(3)17(10-15)20-16-6-5-9-18-14(16)4/h5-10,12,19H,11H2,1-4H3.
What are the key properties of N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine?
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 105407428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).