N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine

C15H17ClN2O — CID 107233084

IUPACN-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCc2ccc(CCl)cc2)n1
InChIInChI=1S/C15H17ClN2O/c1-2-19-15-5-3-4-14(18-15)17-11-13-8-6-12(10-16)7-9-13/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyOQSPUAIVIDSAEO-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.83
Rot. Bonds6

About N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine

N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine (PubChem CID 107233084) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
PubChem CID107233084
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCc2ccc(CCl)cc2)n1
InChIInChI=1S/C15H17ClN2O/c1-2-19-15-5-3-4-14(18-15)17-11-13-8-6-12(10-16)7-9-13/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyOQSPUAIVIDSAEO-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626
6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 63590936
N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine
CID 103110789
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
N-[[4-(chloromethyl)phenyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 107233089
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
CID 63590046
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine (CID 107233084) is N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine is CCOc1cccc(NCc2ccc(CCl)cc2)n1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine?
The InChIKey is OQSPUAIVIDSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-19-15-5-3-4-14(18-15)17-11-13-8-6-12(10-16)7-9-13/h3-9H,2,10-11H2,1H3,(H,17,18).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine?
N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine is sourced from PubChem (CID 107233084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).