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

C16H20N2O2 — CID 81250914

IUPACN-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCOc1cccc(Oc2ccncc2CNC(C)C)c1
InChIInChI=1S/C16H20N2O2/c1-12(2)18-11-13-10-17-8-7-16(13)20-15-6-4-5-14(9-15)19-3/h4-10,12,18H,11H2,1-3H3
InChIKeyGSGLJUJRZOZUER-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.38
Rot. Bonds6

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

N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81250914) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81250914
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCOc1cccc(Oc2ccncc2CNC(C)C)c1
InChIInChI=1S/C16H20N2O2/c1-12(2)18-11-13-10-17-8-7-16(13)20-15-6-4-5-14(9-15)19-3/h4-10,12,18H,11H2,1-3H3
InChIKeyGSGLJUJRZOZUER-UHFFFAOYSA-N
XLogP3.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250377
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623316
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-methyl-1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250777
N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249525
N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81255097
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837
[4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250345

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 81250914) is N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine is COc1cccc(Oc2ccncc2CNC(C)C)c1.
What is the InChIKey of N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is GSGLJUJRZOZUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)18-11-13-10-17-8-7-16(13)20-15-6-4-5-14(9-15)19-3/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 272.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81250914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).