N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine

C13H21ClN2O — CID 114927869

IUPACN-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C13H21ClN2O/c1-5-6-17-12-7-10(11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyHULZTLRGYJPUKD-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.41
Rot. Bonds5

About N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 114927869) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID114927869
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C13H21ClN2O/c1-5-6-17-12-7-10(11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyHULZTLRGYJPUKD-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927691
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928593
N-[[5-chloro-2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103490459
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209
N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928546
N-[[5-chloro-2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114929138
2-butoxy-5-chloro-4-(chloromethyl)pyridine
CID 114921209
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
1-[5-chloro-2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylmethanamine
CID 106205334
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
CID 114928877

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine (CID 114927869) is N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine is CCCOc1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is HULZTLRGYJPUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-5-6-17-12-7-10(11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3.
What are the key properties of N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 256.78 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114927869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).