5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine

C11H14ClN — CID 83753287

IUPAC5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1(N)CCCc2c(Cl)cccc21
InChIInChI=1S/C11H14ClN/c1-11(13)7-3-4-8-9(11)5-2-6-10(8)12/h2,5-6H,3-4,7,13H2,1H3
InChIKeyBRUWYYINGXURRH-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.85
Rot. Bonds

About 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine

5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 83753287) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID83753287
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1(N)CCCc2c(Cl)cccc21
InChIInChI=1S/C11H14ClN/c1-11(13)7-3-4-8-9(11)5-2-6-10(8)12/h2,5-6H,3-4,7,13H2,1H3
InChIKeyBRUWYYINGXURRH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 83753287) is 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine is CC1(N)CCCc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is BRUWYYINGXURRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-11(13)7-3-4-8-9(11)5-2-6-10(8)12/h2,5-6H,3-4,7,13H2,1H3.
What are the key properties of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 83753287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).