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

C21H25N — CID 14941803

IUPACN-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine
SMILESCC[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1
InChIInChI=1S/C21H25N/c1-2-18-12-13-19-10-6-7-11-20(19)21(18)14-15-22-16-17-8-4-3-5-9-17/h3-13,18,21-22H,2,14-16H2,1H3/t18-,21+/m1/s1
InChIKeyKALAYTDAUFXMQW-NQIIRXRSSA-N
MW291.44 g/mol
LogP5.00
Rot. Bonds6

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

N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine (PubChem CID 14941803) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine
PubChem CID14941803
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine
SMILESCC[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1
InChIInChI=1S/C21H25N/c1-2-18-12-13-19-10-6-7-11-20(19)21(18)14-15-22-16-17-8-4-3-5-9-17/h3-13,18,21-22H,2,14-16H2,1H3/t18-,21+/m1/s1
InChIKeyKALAYTDAUFXMQW-NQIIRXRSSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.00
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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Related Compounds

N-benzyl-2-[(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-yl]ethanamine
CID 10802506
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CID 141131731
N-benzyl-2-(1,3-dioxol-2-yl)ethanamine
CID 141491732
N-benzylpropan-1-amine;ethane;propane
CID 145164103
azane;N-benzylbutan-1-amine
CID 175388745
CID 173341423
CID 173341423
N-benzylethanamine;tris(yttrium)
CID 158198357
1-(3-ethylphenyl)-1H-indene
CID 87675189
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine?
The IUPAC name of N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine (CID 14941803) is N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine.
What is the SMILES notation for N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine?
The canonical SMILES for N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine is CC[C@@H]1C=Cc2ccccc2[C@H]1CCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine?
The InChIKey is KALAYTDAUFXMQW-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H25N/c1-2-18-12-13-19-10-6-7-11-20(19)21(18)14-15-22-16-17-8-4-3-5-9-17/h3-13,18,21-22H,2,14-16H2,1H3/t18-,21+/m1/s1.
What are the key properties of N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine?
N-benzyl-2-[(1S,2R)-2-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 5.00, 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-ethyl-1,2-dihydronaphthalen-1-yl]ethanamine is sourced from PubChem (CID 14941803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).