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

C11H15N — CID 43809420

IUPAC1-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1(N)CCCc2ccccc21
InChIInChI=1S/C11H15N/c1-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8,12H2,1H3
InChIKeyJUIZVGNNUOJFDZ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.20
Rot. Bonds

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

1-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43809420) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43809420
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1(N)CCCc2ccccc21
InChIInChI=1S/C11H15N/c1-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8,12H2,1H3
InChIKeyJUIZVGNNUOJFDZ-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 43809420) is 1-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-naphthalen-1-amine is CC1(N)CCCc2ccccc21.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is JUIZVGNNUOJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8,12H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43809420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).