N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine

C11H17ClN2O — CID 104588324

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O/c1-9(2)15-6-5-13-7-10-3-4-11(12)14-8-10/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyHVTIGPIPQQMSAV-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.25
Rot. Bonds6

About N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine

N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 104588324) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
PubChem CID104588324
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O/c1-9(2)15-6-5-13-7-10-3-4-11(12)14-8-10/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyHVTIGPIPQQMSAV-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 115683638
N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 115683686
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
N-[(4-chloro-3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588223
2-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438060
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115683712
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115683654

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine (CID 104588324) is N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine is CC(C)OCCNCc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is HVTIGPIPQQMSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-9(2)15-6-5-13-7-10-3-4-11(12)14-8-10/h3-4,8-9,13H,5-7H2,1-2H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine?
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 228.72 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).