2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine

C15H17ClN2O2 — CID 133374314

IUPAC2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
SMILESCOCCOc1cccc(CNc2ccnc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O2/c1-19-7-8-20-14-4-2-3-12(9-14)11-18-13-5-6-17-15(16)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,18)
InChIKeyLLMSGDPQQLAVQQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.37
Rot. Bonds7

About 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine

2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine (PubChem CID 133374314) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
PubChem CID133374314
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
SMILESCOCCOc1cccc(CNc2ccnc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O2/c1-19-7-8-20-14-4-2-3-12(9-14)11-18-13-5-6-17-15(16)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,18)
InChIKeyLLMSGDPQQLAVQQ-UHFFFAOYSA-N
XLogP3.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39446920
2-chloro-4-[[3-(2-methoxyethoxy)phenyl]methylamino]benzonitrile
CID 133297366
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
CID 133318444
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
3-chloro-4-methyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54797591
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine (CID 133374314) is 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine is COCCOc1cccc(CNc2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine?
The InChIKey is LLMSGDPQQLAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-19-7-8-20-14-4-2-3-12(9-14)11-18-13-5-6-17-15(16)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine?
2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine has a molecular weight of 292.77 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 133374314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).