7-chloro-4-propan-2-ylisoquinolin-1-amine

C12H13ClN2 — CID 115063292

IUPAC7-chloro-4-propan-2-ylisoquinolin-1-amine
SMILESCC(C)c1cnc(N)c2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2/c1-7(2)11-6-15-12(14)10-5-8(13)3-4-9(10)11/h3-7H,1-2H3,(H2,14,15)
InChIKeyPYJZICQTXYBNTM-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.59
Rot. Bonds1

About 7-chloro-4-propan-2-ylisoquinolin-1-amine

7-chloro-4-propan-2-ylisoquinolin-1-amine (PubChem CID 115063292) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 7-chloro-4-propan-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name7-chloro-4-propan-2-ylisoquinolin-1-amine
PubChem CID115063292
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name7-chloro-4-propan-2-ylisoquinolin-1-amine
SMILESCC(C)c1cnc(N)c2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2/c1-7(2)11-6-15-12(14)10-5-8(13)3-4-9(10)11/h3-7H,1-2H3,(H2,14,15)
InChIKeyPYJZICQTXYBNTM-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dichloroisoquinolin-1-amine
CID 133054133
3,4-dichloro-5-propan-2-ylpyridin-2-amine
CID 146482744
6-chloro-4-propan-2-ylquinolin-3-amine
CID 105476883
8-fluoro-4-propan-2-ylisoquinolin-1-amine
CID 115063353
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
1-chloro-6-methyl-4-propan-2-ylisoquinoline
CID 115063224
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
6-chloronaphthalene-1,4-diamine
CID 21424529
6-chloro-4-propan-2-ylpyridazin-3-amine
CID 90133627
3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117378006
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-propan-2-ylisoquinolin-1-amine?
The IUPAC name of 7-chloro-4-propan-2-ylisoquinolin-1-amine (CID 115063292) is 7-chloro-4-propan-2-ylisoquinolin-1-amine.
What is the SMILES notation for 7-chloro-4-propan-2-ylisoquinolin-1-amine?
The canonical SMILES for 7-chloro-4-propan-2-ylisoquinolin-1-amine is CC(C)c1cnc(N)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-propan-2-ylisoquinolin-1-amine?
The InChIKey is PYJZICQTXYBNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7(2)11-6-15-12(14)10-5-8(13)3-4-9(10)11/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 7-chloro-4-propan-2-ylisoquinolin-1-amine?
7-chloro-4-propan-2-ylisoquinolin-1-amine has a molecular weight of 220.70 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-propan-2-ylisoquinolin-1-amine is sourced from PubChem (CID 115063292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).