6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C11H14ClN — CID 115057058

IUPAC6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1c2ccc(Cl)cc2CCC1N
InChIInChI=1S/C11H14ClN/c1-7-10-4-3-9(12)6-8(10)2-5-11(7)13/h3-4,6-7,11H,2,5,13H2,1H3
InChIKeyPNPGGIYGTWCICX-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.72
Rot. Bonds

About 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115057058) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115057058
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1c2ccc(Cl)cc2CCC1N
InChIInChI=1S/C11H14ClN/c1-7-10-4-3-9(12)6-8(10)2-5-11(7)13/h3-4,6-7,11H,2,5,13H2,1H3
InChIKeyPNPGGIYGTWCICX-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115057058) is 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CC1c2ccc(Cl)cc2CCC1N.
What is the InChIKey of 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PNPGGIYGTWCICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-10-4-3-9(12)6-8(10)2-5-11(7)13/h3-4,6-7,11H,2,5,13H2,1H3.
What are the key properties of 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 195.69 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115057058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).