1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine

C17H21ClN2O — CID 115493229

IUPAC1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
SMILESCCCCc1ccc(Oc2ccc(Cl)c(CNC)n2)cc1
InChIInChI=1S/C17H21ClN2O/c1-3-4-5-13-6-8-14(9-7-13)21-17-11-10-15(18)16(20-17)12-19-2/h6-11,19H,3-5,12H2,1-2H3
InChIKeyRCULUGDIPQXCST-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.59
Rot. Bonds7

About 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine

1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine (PubChem CID 115493229) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
PubChem CID115493229
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
SMILESCCCCc1ccc(Oc2ccc(Cl)c(CNC)n2)cc1
InChIInChI=1S/C17H21ClN2O/c1-3-4-5-13-6-8-14(9-7-13)21-17-11-10-15(18)16(20-17)12-19-2/h6-11,19H,3-5,12H2,1-2H3
InChIKeyRCULUGDIPQXCST-UHFFFAOYSA-N
XLogP4.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298099
1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
CID 55194459
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032
1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62323650
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 115493212
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
CID 62322004
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine (CID 115493229) is 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine is CCCCc1ccc(Oc2ccc(Cl)c(CNC)n2)cc1.
What is the InChIKey of 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine?
The InChIKey is RCULUGDIPQXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-4-5-13-6-8-14(9-7-13)21-17-11-10-15(18)16(20-17)12-19-2/h6-11,19H,3-5,12H2,1-2H3.
What are the key properties of 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine?
1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine has a molecular weight of 304.82 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 115493229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).