N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine

C13H19ClN2O — CID 62291329

IUPACN-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)15-6-11-5-12(14)13(16-7-11)17-8-10-3-4-10/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyGBHLJZIPLKXOEZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.02
Rot. Bonds6

About N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62291329) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62291329
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)15-6-11-5-12(14)13(16-7-11)17-8-10-3-4-10/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyGBHLJZIPLKXOEZ-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62291329) is N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnc(OCC2CC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is GBHLJZIPLKXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)15-6-11-5-12(14)13(16-7-11)17-8-10-3-4-10/h5,7,9-10,15H,3-4,6,8H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 254.76 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-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62291329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).