1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine

C17H21ClN2O — CID 114928111

IUPAC1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(C(C)(C)C)cc2)ncc1Cl
InChIInChI=1S/C17H21ClN2O/c1-17(2,3)13-5-7-14(8-6-13)21-16-9-12(10-19-4)15(18)11-20-16/h5-9,11,19H,10H2,1-4H3
InChIKeyYRYRJBXCYPOJKO-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.54
Rot. Bonds4

About 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine

1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine (PubChem CID 114928111) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
PubChem CID114928111
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(C(C)(C)C)cc2)ncc1Cl
InChIInChI=1S/C17H21ClN2O/c1-17(2,3)13-5-7-14(8-6-13)21-16-9-12(10-19-4)15(18)11-20-16/h5-9,11,19H,10H2,1-4H3
InChIKeyYRYRJBXCYPOJKO-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[5-chloro-2-(3,5-dimethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114927908
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 114928698
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114929109
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine (CID 114928111) is 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine is CNCc1cc(Oc2ccc(C(C)(C)C)cc2)ncc1Cl.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine?
The InChIKey is YRYRJBXCYPOJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17(2,3)13-5-7-14(8-6-13)21-16-9-12(10-19-4)15(18)11-20-16/h5-9,11,19H,10H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine?
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine has a molecular weight of 304.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114928111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).