[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine

C15H17ClN2O — CID 106908219

IUPAC[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCCc1cc(OCc2cccc(CN)n2)ccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-2-11-8-14(6-7-15(11)16)19-10-13-5-3-4-12(9-17)18-13/h3-8H,2,9-10,17H2,1H3
InChIKeyJZGYRLBEXNROID-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.34
Rot. Bonds5

About [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine

[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 106908219) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID106908219
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCCc1cc(OCc2cccc(CN)n2)ccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-2-11-8-14(6-7-15(11)16)19-10-13-5-3-4-12(9-17)18-13/h3-8H,2,9-10,17H2,1H3
InChIKeyJZGYRLBEXNROID-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
CID 105350803
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 63486730
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]boronic acid
CID 63457430

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine (CID 106908219) is [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine is CCc1cc(OCc2cccc(CN)n2)ccc1Cl.
What is the InChIKey of [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is JZGYRLBEXNROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-11-8-14(6-7-15(11)16)19-10-13-5-3-4-12(9-17)18-13/h3-8H,2,9-10,17H2,1H3.
What are the key properties of [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine?
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106908219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).