1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine

C21H19N — CID 89297059

IUPAC1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine
SMILESCC1=CC=C2C=CC=CC2[C@H]1c1c(N)ccc2ccccc12
InChIInChI=1S/C21H19N/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13,17,20H,22H2,1H3/t17?,20-/m0/s1
InChIKeyAMOGVVXLCPTXDK-OZBJMMHXSA-N
MW285.39 g/mol
LogP5.13
Rot. Bonds1

About 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine

1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine (PubChem CID 89297059) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine
PubChem CID89297059
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine
SMILESCC1=CC=C2C=CC=CC2[C@H]1c1c(N)ccc2ccccc12
InChIInChI=1S/C21H19N/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13,17,20H,22H2,1H3/t17?,20-/m0/s1
InChIKeyAMOGVVXLCPTXDK-OZBJMMHXSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine (CID 89297059) is 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine is CC1=CC=C2C=CC=CC2[C@H]1c1c(N)ccc2ccccc12.
What is the InChIKey of 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine?
The InChIKey is AMOGVVXLCPTXDK-OZBJMMHXSA-N. The full InChI is InChI=1S/C21H19N/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13,17,20H,22H2,1H3/t17?,20-/m0/s1.
What are the key properties of 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine?
1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine has a molecular weight of 285.39 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 89297059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).