N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine

C12H19ClN2O — CID 114927711

IUPACN-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC(C)C)ncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-5-14-7-10-6-12(16-9(2)3)15-8-11(10)13/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyDSFVIPCVJXNHDQ-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.02
Rot. Bonds6

About N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine

N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine (PubChem CID 114927711) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
PubChem CID114927711
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC(C)C)ncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-5-14-7-10-6-12(16-9(2)3)15-8-11(10)13/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyDSFVIPCVJXNHDQ-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
CID 114928877
N-[[5-chloro-2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114929138
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202
N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
CID 114927663
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol
CID 102982999
N-[(3-chloro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 112609432

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine (CID 114927711) is N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine is CCCNCc1cc(OC(C)C)ncc1Cl.
What is the InChIKey of N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is DSFVIPCVJXNHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-5-14-7-10-6-12(16-9(2)3)15-8-11(10)13/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine?
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 242.75 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114927711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).