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

C20H23N — CID 10850173

IUPACN-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine
SMILESC[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1
InChIInChI=1S/C20H23N/c1-16-11-12-18-9-5-6-10-20(18)19(16)13-14-21-15-17-7-3-2-4-8-17/h2-12,16,19,21H,13-15H2,1H3/t16-,19+/m1/s1
InChIKeyQVWOISGAXXUOJK-APWZRJJASA-N
MW277.41 g/mol
LogP4.61
Rot. Bonds5

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

N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine (PubChem CID 10850173) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine
PubChem CID10850173
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine
SMILESC[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1
InChIInChI=1S/C20H23N/c1-16-11-12-18-9-5-6-10-20(18)19(16)13-14-21-15-17-7-3-2-4-8-17/h2-12,16,19,21H,13-15H2,1H3/t16-,19+/m1/s1
InChIKeyQVWOISGAXXUOJK-APWZRJJASA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.61
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-methyl-1,2-dihydronaphthalen-1-yl]ethanamine?
The IUPAC name of N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine (CID 10850173) is N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine.
What is the SMILES notation for N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine?
The canonical SMILES for N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine is C[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine?
The InChIKey is QVWOISGAXXUOJK-APWZRJJASA-N. The full InChI is InChI=1S/C20H23N/c1-16-11-12-18-9-5-6-10-20(18)19(16)13-14-21-15-17-7-3-2-4-8-17/h2-12,16,19,21H,13-15H2,1H3/t16-,19+/m1/s1.
What are the key properties of N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine?
N-benzyl-2-[(1S,2R)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.61, 5 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-methyl-1,2-dihydronaphthalen-1-yl]ethanamine is sourced from PubChem (CID 10850173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).