N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine

C17H21ClN2O — CID 62295672

IUPACN-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ccnc(CNC(C)C)c1
InChIInChI=1S/C17H21ClN2O/c1-11(2)20-10-15-9-16(5-6-19-15)21-17-12(3)7-14(18)8-13(17)4/h5-9,11,20H,10H2,1-4H3
InChIKeyWMOWSINXMPZIJP-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.64
Rot. Bonds5

About N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62295672) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62295672
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ccnc(CNC(C)C)c1
InChIInChI=1S/C17H21ClN2O/c1-11(2)20-10-15-9-16(5-6-19-15)21-17-12(3)7-14(18)8-13(17)4/h5-9,11,20H,10H2,1-4H3
InChIKeyWMOWSINXMPZIJP-UHFFFAOYSA-N
XLogP4.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62323756
N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297273
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381682
N-[[4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62287531
N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297778
N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139
N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62290181
1-[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62322372
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
2-ethyl-4-(2,4,6-trimethylphenoxy)pyridine
CID 142846959
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62295672) is N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine is Cc1cc(Cl)cc(C)c1Oc1ccnc(CNC(C)C)c1.
What is the InChIKey of N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is WMOWSINXMPZIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11(2)20-10-15-9-16(5-6-19-15)21-17-12(3)7-14(18)8-13(17)4/h5-9,11,20H,10H2,1-4H3.
What are the key properties of N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 304.82 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).