(4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol

C12H19ClN2O — CID 83912763

IUPAC(4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol
SMILESCC(C)n1cc2c(c1Cl)CCCC2(N)CO
InChIInChI=1S/C12H19ClN2O/c1-8(2)15-6-10-9(11(15)13)4-3-5-12(10,14)7-16/h6,8,16H,3-5,7,14H2,1-2H3
InChIKeySERXXWYBXXSRGD-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.20
Rot. Bonds2

About (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol

(4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol (PubChem CID 83912763) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol
PubChem CID83912763
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol
SMILESCC(C)n1cc2c(c1Cl)CCCC2(N)CO
InChIInChI=1S/C12H19ClN2O/c1-8(2)15-6-10-9(11(15)13)4-3-5-12(10,14)7-16/h6,8,16H,3-5,7,14H2,1-2H3
InChIKeySERXXWYBXXSRGD-UHFFFAOYSA-N
XLogP2.20
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol?
The IUPAC name of (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol (CID 83912763) is (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol.
What is the SMILES notation for (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol?
The canonical SMILES for (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol is CC(C)n1cc2c(c1Cl)CCCC2(N)CO.
What is the InChIKey of (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol?
The InChIKey is SERXXWYBXXSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(2)15-6-10-9(11(15)13)4-3-5-12(10,14)7-16/h6,8,16H,3-5,7,14H2,1-2H3.
What are the key properties of (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol?
(4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol has a molecular weight of 242.75 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-chloro-2-propan-2-yl-6,7-dihydro-5H-isoindol-4-yl)methanol is sourced from PubChem (CID 83912763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).