N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine

C16H19ClN2O2 — CID 115954879

IUPACN-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(Cl)c1OCc1ccccn1
InChIInChI=1S/C16H19ClN2O2/c1-20-10-9-18-11-13-5-4-7-15(17)16(13)21-12-14-6-2-3-8-19-14/h2-8,18H,9-12H2,1H3
InChIKeyWWJXNSCVJQXKEC-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.05
Rot. Bonds8

About N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine

N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 115954879) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID115954879
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(Cl)c1OCc1ccccn1
InChIInChI=1S/C16H19ClN2O2/c1-20-10-9-18-11-13-5-4-7-15(17)16(13)21-12-14-6-2-3-8-19-14/h2-8,18H,9-12H2,1H3
InChIKeyWWJXNSCVJQXKEC-UHFFFAOYSA-N
XLogP3.05
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954891
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954921
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 112610592
N-[[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954964
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
N-[[3-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390714
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine (CID 115954879) is N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(Cl)c1OCc1ccccn1.
What is the InChIKey of N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is WWJXNSCVJQXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-20-10-9-18-11-13-5-4-7-15(17)16(13)21-12-14-6-2-3-8-19-14/h2-8,18H,9-12H2,1H3.
What are the key properties of N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 306.79 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115954879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).