(5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine

C13H19ClN2 — CID 82544812

IUPAC(5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCCN1Cc2c(ccc(Cl)c2C)C1CN
InChIInChI=1S/C13H19ClN2/c1-3-6-16-8-11-9(2)12(14)5-4-10(11)13(16)7-15/h4-5,13H,3,6-8,15H2,1-2H3
InChIKeyJQOAABAPWXXJLL-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.87
Rot. Bonds3

About (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine

(5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82544812) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82544812
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name(5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCCN1Cc2c(ccc(Cl)c2C)C1CN
InChIInChI=1S/C13H19ClN2/c1-3-6-16-8-11-9(2)12(14)5-4-10(11)13(16)7-15/h4-5,13H,3,6-8,15H2,1-2H3
InChIKeyJQOAABAPWXXJLL-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol
CID 82544787
1-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82544805
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
[5-chloro-2-[2-(4-methoxyphenoxy)ethyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110449742
[5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82544794
2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol
CID 82544408
3-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]propan-1-ol
CID 82544402
[2-(1,3-benzodioxol-5-yl)-5-chloro-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110449727
3-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 110450072
[4,5-dichloro-2-(3-imidazol-1-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450092
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine (CID 82544812) is (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine is CCCN1Cc2c(ccc(Cl)c2C)C1CN.
What is the InChIKey of (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is JQOAABAPWXXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-6-16-8-11-9(2)12(14)5-4-10(11)13(16)7-15/h4-5,13H,3,6-8,15H2,1-2H3.
What are the key properties of (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine?
(5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82544812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).