N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine

C17H20ClN3 — CID 62285900

IUPACN-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(N2Cc3ccccc3C2)ccc1Cl
InChIInChI=1S/C17H20ClN3/c1-2-9-19-10-16-15(18)7-8-17(20-16)21-11-13-5-3-4-6-14(13)12-21/h3-8,19H,2,9-12H2,1H3
InChIKeyALWCRWKAADDYKD-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine

N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62285900) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62285900
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(N2Cc3ccccc3C2)ccc1Cl
InChIInChI=1S/C17H20ClN3/c1-2-9-19-10-16-15(18)7-8-17(20-16)21-11-13-5-3-4-6-14(13)12-21/h3-8,19H,2,9-12H2,1H3
InChIKeyALWCRWKAADDYKD-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine (CID 62285900) is N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(N2Cc3ccccc3C2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is ALWCRWKAADDYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-2-9-19-10-16-15(18)7-8-17(20-16)21-11-13-5-3-4-6-14(13)12-21/h3-8,19H,2,9-12H2,1H3.
What are the key properties of N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 301.82 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62285900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).