1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine

C14H20IN — CID 139550944

IUPAC1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine
SMILESCC1CC(C(N)CI)c2ccccc2C1C
InChIInChI=1S/C14H20IN/c1-9-7-13(14(16)8-15)12-6-4-3-5-11(12)10(9)2/h3-6,9-10,13-14H,7-8,16H2,1-2H3
InChIKeyCPGIKRXCRURSHH-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.68
Rot. Bonds2

About 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine

1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine (PubChem CID 139550944) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine.

Molecular Properties

Compound Name1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine
PubChem CID139550944
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine
SMILESCC1CC(C(N)CI)c2ccccc2C1C
InChIInChI=1S/C14H20IN/c1-9-7-13(14(16)8-15)12-6-4-3-5-11(12)10(9)2/h3-6,9-10,13-14H,7-8,16H2,1-2H3
InChIKeyCPGIKRXCRURSHH-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine?
The IUPAC name of 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine (CID 139550944) is 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine.
What is the SMILES notation for 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine?
The canonical SMILES for 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine is CC1CC(C(N)CI)c2ccccc2C1C.
What is the InChIKey of 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine?
The InChIKey is CPGIKRXCRURSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-9-7-13(14(16)8-15)12-6-4-3-5-11(12)10(9)2/h3-6,9-10,13-14H,7-8,16H2,1-2H3.
What are the key properties of 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine?
1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine has a molecular weight of 329.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodoethanamine is sourced from PubChem (CID 139550944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).