N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine

C17H20ClN3 — CID 114924865

IUPACN-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2Cc3ccccc3C2)ncc1Cl
InChIInChI=1S/C17H20ClN3/c1-12(2)19-8-15-7-17(20-9-16(15)18)21-10-13-5-3-4-6-14(13)11-21/h3-7,9,12,19H,8,10-11H2,1-2H3
InChIKeyHWSWCNIAUWZJPT-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.75
Rot. Bonds4

About N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114924865) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID114924865
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2Cc3ccccc3C2)ncc1Cl
InChIInChI=1S/C17H20ClN3/c1-12(2)19-8-15-7-17(20-9-16(15)18)21-10-13-5-3-4-6-14(13)11-21/h3-7,9,12,19H,8,10-11H2,1-2H3
InChIKeyHWSWCNIAUWZJPT-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 114924863
N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111
N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925192
N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 103539431
N-[[5-chloro-2-(2,2-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927217
N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114926682
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 114926628
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925391
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562
N-[[5-chloro-2-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927325
N-[[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927491

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine (CID 114924865) is N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(N2Cc3ccccc3C2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is HWSWCNIAUWZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-12(2)19-8-15-7-17(20-9-16(15)18)21-10-13-5-3-4-6-14(13)11-21/h3-7,9,12,19H,8,10-11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 301.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114924865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).