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

C11H16ClN — CID 138040145

IUPAC2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
SMILESCC1(N)CCc2ccccc2C1.Cl
InChIInChI=1S/C11H15N.ClH/c1-11(12)7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8,12H2,1H3;1H
InChIKeyPSVAEWNSZNVLJO-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.31
Rot. Bonds

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

2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride (PubChem CID 138040145) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
PubChem CID138040145
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
SMILESCC1(N)CCc2ccccc2C1.Cl
InChIInChI=1S/C11H15N.ClH/c1-11(12)7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8,12H2,1H3;1H
InChIKeyPSVAEWNSZNVLJO-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
The IUPAC name of 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride (CID 138040145) is 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride is CC1(N)CCc2ccccc2C1.Cl.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
The InChIKey is PSVAEWNSZNVLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-11(12)7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8,12H2,1H3;1H.
What are the key properties of 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride?
2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride is sourced from PubChem (CID 138040145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).