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

C15H25ClN2O2 — CID 114927751

IUPACN-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCCOCCOc1cc(CNCCC)c(Cl)cn1
InChIInChI=1S/C15H25ClN2O2/c1-3-5-7-19-8-9-20-15-10-13(11-17-6-4-2)14(16)12-18-15/h10,12,17H,3-9,11H2,1-2H3
InChIKeyZDHNNLKJMKLVBG-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.43
Rot. Bonds11

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

N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114927751) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
PubChem CID114927751
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCCOCCOc1cc(CNCCC)c(Cl)cn1
InChIInChI=1S/C15H25ClN2O2/c1-3-5-7-19-8-9-20-15-10-13(11-17-6-4-2)14(16)12-18-15/h10,12,17H,3-9,11H2,1-2H3
InChIKeyZDHNNLKJMKLVBG-UHFFFAOYSA-N
XLogP3.43
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-butoxy-5-chloro-4-(chloromethyl)pyridine
CID 114921209
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66451575
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
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-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine (CID 114927751) is N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine is CCCCOCCOc1cc(CNCCC)c(Cl)cn1.
What is the InChIKey of N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is ZDHNNLKJMKLVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-3-5-7-19-8-9-20-15-10-13(11-17-6-4-2)14(16)12-18-15/h10,12,17H,3-9,11H2,1-2H3.
What are the key properties of N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 300.83 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114927751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).