N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C17H21ClN2O — CID 62297778

IUPACN-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ncccc1CNC(C)C
InChIInChI=1S/C17H21ClN2O/c1-11(2)20-10-14-6-5-7-19-17(14)21-16-12(3)8-15(18)9-13(16)4/h5-9,11,20H,10H2,1-4H3
InChIKeyUDWYCEGSFWIDTE-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.64
Rot. Bonds5

About N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62297778) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62297778
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ncccc1CNC(C)C
InChIInChI=1S/C17H21ClN2O/c1-11(2)20-10-14-6-5-7-19-17(14)21-16-12(3)8-15(18)9-13(16)4/h5-9,11,20H,10H2,1-4H3
InChIKeyUDWYCEGSFWIDTE-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-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322927
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62295672
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381682
N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63648734
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62297778) is N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(Cl)cc(C)c1Oc1ncccc1CNC(C)C.
What is the InChIKey of N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is UDWYCEGSFWIDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11(2)20-10-14-6-5-7-19-17(14)21-16-12(3)8-15(18)9-13(16)4/h5-9,11,20H,10H2,1-4H3.
What are the key properties of N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-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-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62297778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).