N-(3-chlorobutyl)-5-methoxypyridin-2-amine

C10H15ClN2O — CID 106505086

IUPACN-(3-chlorobutyl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCCC(C)Cl)nc1
InChIInChI=1S/C10H15ClN2O/c1-8(11)5-6-12-10-4-3-9(14-2)7-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyIEYQCWYRUJRUFI-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.52
Rot. Bonds5

About N-(3-chlorobutyl)-5-methoxypyridin-2-amine

N-(3-chlorobutyl)-5-methoxypyridin-2-amine (PubChem CID 106505086) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N-(3-chlorobutyl)-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(3-chlorobutyl)-5-methoxypyridin-2-amine
PubChem CID106505086
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN-(3-chlorobutyl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCCC(C)Cl)nc1
InChIInChI=1S/C10H15ClN2O/c1-8(11)5-6-12-10-4-3-9(14-2)7-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyIEYQCWYRUJRUFI-UHFFFAOYSA-N
XLogP2.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.52
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

1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
5-methoxy-N-propylpyridin-2-amine
CID 106503925
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
N-(4-chloropentyl)-5-methylpyridin-2-amine
CID 106124548
N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine
CID 106505067
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
5-methoxy-N-(1H-pyrazol-4-ylmethyl)pyridin-2-amine
CID 103802199
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
1-[(5-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 104696792

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-5-methoxypyridin-2-amine?
The IUPAC name of N-(3-chlorobutyl)-5-methoxypyridin-2-amine (CID 106505086) is N-(3-chlorobutyl)-5-methoxypyridin-2-amine.
What is the SMILES notation for N-(3-chlorobutyl)-5-methoxypyridin-2-amine?
The canonical SMILES for N-(3-chlorobutyl)-5-methoxypyridin-2-amine is COc1ccc(NCCC(C)Cl)nc1.
What is the InChIKey of N-(3-chlorobutyl)-5-methoxypyridin-2-amine?
The InChIKey is IEYQCWYRUJRUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8(11)5-6-12-10-4-3-9(14-2)7-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-(3-chlorobutyl)-5-methoxypyridin-2-amine?
N-(3-chlorobutyl)-5-methoxypyridin-2-amine has a molecular weight of 214.70 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-5-methoxypyridin-2-amine is sourced from PubChem (CID 106505086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).