1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine

C17H15ClN2O — CID 62322004

IUPAC1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(Oc2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-19-11-15-14(18)9-10-17(20-15)21-16-8-4-6-12-5-2-3-7-13(12)16/h2-10,19H,11H2,1H3
InChIKeyKBSVWGQUKDOJOZ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.40
Rot. Bonds4

About 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine

1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine (PubChem CID 62322004) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
PubChem CID62322004
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(Oc2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-19-11-15-14(18)9-10-17(20-15)21-16-8-4-6-12-5-2-3-7-13(12)16/h2-10,19H,11H2,1H3
InChIKeyKBSVWGQUKDOJOZ-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 66450632
1-[6-(2-bromo-4-methylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 62322384
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298099
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-methyl-1-(5-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 107381908
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
CID 62322786
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
1-[6-(2,3-dichlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62296347

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine (CID 62322004) is 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine is CNCc1nc(Oc2cccc3ccccc23)ccc1Cl.
What is the InChIKey of 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine?
The InChIKey is KBSVWGQUKDOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-19-11-15-14(18)9-10-17(20-15)21-16-8-4-6-12-5-2-3-7-13(12)16/h2-10,19H,11H2,1H3.
What are the key properties of 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine?
1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine has a molecular weight of 298.77 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 62322004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).