(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine

C24H27NSi — CID 59562929

IUPAC(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(C#C[Si](C)(C)C)c1)c1cccc2ccccc12
InChIInChI=1S/C24H27NSi/c1-19(23-14-8-12-22-11-5-6-13-24(22)23)25-18-21-10-7-9-20(17-21)15-16-26(2,3)4/h5-14,17,19,25H,18H2,1-4H3/t19-/m1/s1
InChIKeySLUJXCONNDOJAC-LJQANCHMSA-N
MW357.57 g/mol
LogP5.92
Rot. Bonds4

About (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine

(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine (PubChem CID 59562929) has the molecular formula C24H27NSi and a molecular weight of 357.57 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
PubChem CID59562929
Molecular FormulaC24H27NSi
Molecular Weight357.57 g/mol
Exact Mass357.19
IUPAC Name(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(C#C[Si](C)(C)C)c1)c1cccc2ccccc12
InChIInChI=1S/C24H27NSi/c1-19(23-14-8-12-22-11-5-6-13-24(22)23)25-18-21-10-7-9-20(17-21)15-16-26(2,3)4/h5-14,17,19,25H,18H2,1-4H3/t19-/m1/s1
InChIKeySLUJXCONNDOJAC-LJQANCHMSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.57
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
3-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]prop-2-yn-1-ol
CID 59562837
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
CID 70834368
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
CID 22391282
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 68844060
3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 42914218
3-[[1-(2-chlorophenyl)ethylamino]methyl]benzonitrile
CID 43181376
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60713955

Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine (CID 59562929) is (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine is C[C@@H](NCc1cccc(C#C[Si](C)(C)C)c1)c1cccc2ccccc12.
What is the InChIKey of (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine?
The InChIKey is SLUJXCONNDOJAC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27NSi/c1-19(23-14-8-12-22-11-5-6-13-24(22)23)25-18-21-10-7-9-20(17-21)15-16-26(2,3)4/h5-14,17,19,25H,18H2,1-4H3/t19-/m1/s1.
What are the key properties of (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine?
(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine has a molecular weight of 357.57 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 59562929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).