N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C16H19ClN2O — CID 81250377

IUPACN-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Cl)c(Oc2ccncc2CNC(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)19-10-13-9-18-7-6-15(13)20-16-8-12(3)4-5-14(16)17/h4-9,11,19H,10H2,1-3H3
InChIKeyGMDOCAYJFFXOFG-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.33
Rot. Bonds5

About N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81250377) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81250377
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Cl)c(Oc2ccncc2CNC(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)19-10-13-9-18-7-6-15(13)20-16-8-12(3)4-5-14(16)17/h4-9,11,19H,10H2,1-3H3
InChIKeyGMDOCAYJFFXOFG-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
CID 81234889
N-[[3-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075221
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075167
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
CID 81234048
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 64854100

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 81250377) is N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine is Cc1ccc(Cl)c(Oc2ccncc2CNC(C)C)c1.
What is the InChIKey of N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is GMDOCAYJFFXOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)19-10-13-9-18-7-6-15(13)20-16-8-12(3)4-5-14(16)17/h4-9,11,19H,10H2,1-3H3.
What are the key properties of N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81250377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).