N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine

C22H27N — CID 10924765

IUPACN-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine
SMILESCC(C)[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1
InChIInChI=1S/C22H27N/c1-17(2)20-13-12-19-10-6-7-11-21(19)22(20)14-15-23-16-18-8-4-3-5-9-18/h3-13,17,20,22-23H,14-16H2,1-2H3/t20-,22-/m0/s1
InChIKeyARTZARBNYOSRMM-UNMCSNQZSA-N
MW305.47 g/mol
LogP5.25
Rot. Bonds6

About N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine

N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine (PubChem CID 10924765) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine
PubChem CID10924765
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC NameN-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine
SMILESCC(C)[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1
InChIInChI=1S/C22H27N/c1-17(2)20-13-12-19-10-6-7-11-21(19)22(20)14-15-23-16-18-8-4-3-5-9-18/h3-13,17,20,22-23H,14-16H2,1-2H3/t20-,22-/m0/s1
InChIKeyARTZARBNYOSRMM-UNMCSNQZSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine?
The IUPAC name of N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine (CID 10924765) is N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine.
What is the SMILES notation for N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine?
The canonical SMILES for N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine is CC(C)[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine?
The InChIKey is ARTZARBNYOSRMM-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H27N/c1-17(2)20-13-12-19-10-6-7-11-21(19)22(20)14-15-23-16-18-8-4-3-5-9-18/h3-13,17,20,22-23H,14-16H2,1-2H3/t20-,22-/m0/s1.
What are the key properties of N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine?
N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine has a molecular weight of 305.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]ethanamine is sourced from PubChem (CID 10924765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).