N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine

C15H17ClN2O2 — CID 114928088

IUPACN-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2cccc(OC)c2)ncc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-17-9-11-7-15(18-10-14(11)16)20-13-6-4-5-12(8-13)19-2/h4-8,10,17H,3,9H2,1-2H3
InChIKeySQVVPTHBOFNMTD-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.65
Rot. Bonds6

About N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 114928088) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID114928088
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2cccc(OC)c2)ncc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-17-9-11-7-15(18-10-14(11)16)20-13-6-4-5-12(8-13)19-2/h4-8,10,17H,3,9H2,1-2H3
InChIKeySQVVPTHBOFNMTD-UHFFFAOYSA-N
XLogP3.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 114925895
1-[5-chloro-2-(3,5-dimethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114927908
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
N-[[5-chloro-2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114927929
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 114928698
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine (CID 114928088) is N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(Oc2cccc(OC)c2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is SQVVPTHBOFNMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-17-9-11-7-15(18-10-14(11)16)20-13-6-4-5-12(8-13)19-2/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 292.77 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114928088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).