(1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine

C9H13ClN2 — CID 83906902

IUPAC(1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine
SMILESNCC1CCCc2c1c[nH]c2Cl
InChIInChI=1S/C9H13ClN2/c10-9-7-3-1-2-6(4-11)8(7)5-12-9/h5-6,12H,1-4,11H2
InChIKeySGBXFBBKRWNMAT-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.05
Rot. Bonds1

About (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine

(1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine (PubChem CID 83906902) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine.

Molecular Properties

Compound Name(1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine
PubChem CID83906902
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name(1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine
SMILESNCC1CCCc2c1c[nH]c2Cl
InChIInChI=1S/C9H13ClN2/c10-9-7-3-1-2-6(4-11)8(7)5-12-9/h5-6,12H,1-4,11H2
InChIKeySGBXFBBKRWNMAT-UHFFFAOYSA-N
XLogP2.05
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-amine
CID 112714820
2-(3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl)ethanamine
CID 83911428
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 26342575
(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 83840077
1-chloro-5-methyl-4,5,6,7-tetrahydro-2H-isoindole-4-carboxylic acid
CID 112716624
1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391
[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 66651510
(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 20763668
(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine
CID 18466234
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614

Frequently Asked Questions

What is the IUPAC name of (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
The IUPAC name of (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine (CID 83906902) is (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine.
What is the SMILES notation for (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
The canonical SMILES for (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine is NCC1CCCc2c1c[nH]c2Cl.
What is the InChIKey of (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
The InChIKey is SGBXFBBKRWNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c10-9-7-3-1-2-6(4-11)8(7)5-12-9/h5-6,12H,1-4,11H2.
What are the key properties of (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
(1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine has a molecular weight of 184.67 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine is sourced from PubChem (CID 83906902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).